Mercurial > repos > fgiacomoni > downloader_bank_hmdb
changeset 0:7c9269bded0e draft
Init repository for [downloader_bank_hmdb]
| author | fgiacomoni |
|---|---|
| date | Tue, 14 Jan 2020 05:21:23 -0500 |
| parents | |
| children | 4373f936111d |
| files | Dockerfile README README.md _README.txt banks/CSF_v2018Jul09/CSF_v2018Jul09.tabular banks/CSF_v2019Jan17/CSF_v2019Jan17.tabular banks/RUMEN_v2011Oct19/RUMEN_v2011Oct19.tabular conf.cfg downloader_bank_hmdb.pl downloader_bank_hmdb.xml lib/conf.pm lib/csv.pm lib/hmdb_api.pm lib/utils.pm t/downloader_bank_hmdb.t t/lib/hmdb_apiTest.pm t/lib/utilsTest.pm test-data/out01.tabular test-data/out02.tabular test-data/out03.tabular test-data/out04.tabular test-data/out05.tabular |
| diffstat | 22 files changed, 14029 insertions(+), 0 deletions(-) [+] |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/Dockerfile Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,51 @@ +FROM ubuntu:18.04 + +# set author +MAINTAINER Franck Giacomoni <franck.giacomoni.fr> + +### +### [CONTAINER CORE FUNCTIONS]: +### xxxx +### xxxx +### [NOTES] +### xxxx + +ENV PATH /opt/conda/bin:$PATH + +RUN apt-get -y update &&\ + apt-get -y install build-essential \ + cpanminus \ + gzip \ + wget \ + bzip2 \ + ca-certificates \ + libglib2.0-0 \ + libxext6 \ + libsm6 \ + libxrender1 \ + libtext-csv-perl \ + libxml-twig-perl \ + libfile-share-perl + +RUN wget --quiet https://repo.anaconda.com/archive/Anaconda3-5.3.0-Linux-x86_64.sh -O ~/anaconda.sh && \ + /bin/bash ~/anaconda.sh -b -p /opt/conda && \ + rm ~/anaconda.sh && \ + ln -s /opt/conda/etc/profile.d/conda.sh /etc/profile.d/conda.sh && \ + echo ". /opt/conda/etc/profile.d/conda.sh" >> ~/.bashrc && \ + echo "conda activate base" >> ~/.bashrc + +RUN cpan install ExtUtils::MakeMaker && \ + cpan install File::ShareDir::Install && \ + cpan install Module::Release &&\ + cpan install Archive::Zip &&\ + + apt -y install git &&\ + apt -y install python2.7 python-pip &&\ + apt -y install virtualenv &&\ + pip install "pip>=7" &&\ + pip install -U git+git://github.com/galaxyproject/planemo.git &&\ + + apt-get autoremove -y && \ + apt-get clean && \ + rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/* +
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/README Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,7 @@ +# HMDB bank downloader + +# Version 1.1 + +Download a bank containing information (like : HMDB id, Name, mz, inchikey) from HMDB online web portal and convert it into W4M annotation tool input formats. + +Several specific metabolite banks are available like Urine, Serum, cerebrospinal fluid, ... \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/README.md Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,7 @@ +[](https://services.pfem.clermont.inra.fr/gitlab/dev-team/downloader-bank-hmdb/commits/master) + +# HMDB bank downloader + +Download a bank containing information (like : HMDB id, Name, mz, inchikey) from HMDB online web portal and convert it into W4M annotation tool input formats. + +Several specific metabolite banks are available like Urine, Serum, cerebrospinal fluid, ... \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/_README.txt Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,48 @@ +## ****** downloader_bank_hmdb environnemnt : ****** ## +# version 21/11/ 2018 / F Giacomoni + +## --- PERL compilator / libraries : --- ## +$ perl -v +This is perl 5, version 18, subversion 2 (v5.18.2) built for darwin-thread-multi-2level + +# libs CORE PERL : +use strict ; +use warnings ; +use Carp qw (cluck croak carp) ; +use Exporter ; +use Data::Dumper ; +use Getopt::Long ; +use FindBin ; + +# libs CPAN PERL : +$ perl -e 'use XX::XX' +$ sudo perl -MCPAN -e shell +cpan> install XX::XX + +# libs pfem PERL : +No dependency with pfem lib +-- + +## --- R bin and Packages : --- ## + +No interaction with R +-- + +## --- Binary dependencies --- ## +Install folowing binaries : N/A +-- + +## --- Config : --- ## +Edit the config file : /path/*.conf + +-- + +## --- XML HELP PART --- ## +Copy the following images in ~/static/images/metabolomics : +-- + +## --- DATASETS --- ## +-- + +## --- ??? COMMENTS ??? --- ## +-- \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/banks/CSF_v2018Jul09/CSF_v2018Jul09.tabular Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,451 @@ +HMDB_ID MzBank [M+H]+ [M-H]- MetName ChemFormula INChIkey +HMDB0000001 169.085126611 170.092403011 168.077850211 1-Methylhistidine C7H11N3O2 BRMWTNUJHUMWMS-LURJTMIESA-N +HMDB0000005 102.031694058 103.038970458 101.024417658 "2-Ketobutyric acid" C4H6O3 TYEYBOSBBBHJIV-UHFFFAOYSA-N +HMDB0000008 104.047344122 105.054620522 103.040067722 "2-Hydroxybutyric acid" C4H8O3 AFENDNXGAFYKQO-UHFFFAOYSA-N +HMDB0000011 104.047344122 105.054620522 103.040067722 "(R)-3-Hydroxybutyric acid" C4H8O3 WHBMMWSBFZVSSR-GSVOUGTGSA-N +HMDB0000012 228.074621504 229.081897904 227.067345104 Deoxyuridine C9H12N2O5 MXHRCPNRJAMMIM-SHYZEUOFSA-N +HMDB0000017 183.053157781 184.060434181 182.045881381 "4-Pyridoxic acid" C8H9NO4 HXACOUQIXZGNBF-UHFFFAOYSA-N +HMDB0000019 116.047344122 117.054620522 115.040067722 "alpha-Ketoisovaleric acid" C5H8O3 QHKABHOOEWYVLI-UHFFFAOYSA-N +HMDB0000020 152.047344122 153.054620522 151.040067722 "p-Hydroxyphenylacetic acid" C8H8O3 XQXPVVBIMDBYFF-UHFFFAOYSA-N +HMDB0000022 167.094628665 168.101905065 166.087352265 3-Methoxytyramine C9H13NO2 DIVQKHQLANKJQO-UHFFFAOYSA-N +HMDB0000023 104.047344122 105.054620522 103.040067722 "(S)-3-Hydroxyisobutyric acid" C4H8O3 DBXBTMSZEOQQDU-VKHMYHEASA-N +HMDB0000026 132.053492132 133.060768532 131.046215732 "Ureidopropionic acid" C4H8N2O3 JSJWCHRYRHKBBW-UHFFFAOYSA-N +HMDB0000027 241.117489371 242.124765771 240.110212971 Tetrahydrobiopterin C9H15N5O3 FNKQXYHWGSIFBK-UHFFFAOYSA-N +HMDB0000030 244.088163078 245.095439478 243.080886678 Biotin C10H16N2O3S YBJHBAHKTGYVGT-ZKWXMUAHSA-N +HMDB0000031 290.224580204 291.231856604 289.217303804 Androsterone C19H30O2 QGXBDMJGAMFCBF-HLUDHZFRSA-N +HMDB0000032 384.33921603 385.34649243 383.33193963 7-Dehydrocholesterol C27H44O UCTLRSWJYQTBFZ-DDPQNLDTSA-N +HMDB0000034 135.054495185 136.061771585 134.047218785 Adenine C5H5N5 GFFGJBXGBJISGV-UHFFFAOYSA-N +HMDB0000038 239.101839307 240.109115707 238.094562907 Dihydrobiopterin C9H13N5O3 FEMXZDUTFRTWPE-UHFFFAOYSA-N +HMDB0000039 88.0524295 89.0597059 87.0451531 "Butyric acid" C4H8O2 FERIUCNNQQJTOY-UHFFFAOYSA-N +HMDB0000042 60.021129372 61.028405772 59.013852972 "Acetic acid" C2H4O2 QTBSBXVTEAMEQO-UHFFFAOYSA-N +HMDB0000044 176.032087988 177.039364388 175.024811588 "Ascorbic acid" C6H8O6 CIWBSHSKHKDKBQ-JLAZNSOCSA-N +HMDB0000045 347.063084339 348.070360739 346.055807939 "Adenosine monophosphate" C10H14N5O7P UDMBCSSLTHHNCD-KQYNXXCUSA-N +HMDB0000050 267.096753929 268.104030329 266.089477529 Adenosine C10H13N5O4 OIRDTQYFTABQOQ-KQYNXXCUSA-N +HMDB0000051 17.026549101 18.033825501 16.019272701 Ammonia H3N QGZKDVFQNNGYKY-UHFFFAOYSA-N +HMDB0000053 286.193280076 287.200556476 285.186003676 Androstenedione C19H26O2 AEMFNILZOJDQLW-QAGGRKNESA-N +HMDB0000054 584.263484904 585.270761304 583.256208504 Bilirubin C33H36N4O6 BPYKTIZUTYGOLE-IFADSCNNSA-N +HMDB0000056 89.047678473 90.054954873 88.040402073 beta-Alanine C3H7NO2 UCMIRNVEIXFBKS-UHFFFAOYSA-N +HMDB0000058 329.052519653 330.059796053 328.045243253 "Cyclic AMP" C10H12N5O6P IVOMOUWHDPKRLL-KQYNXXCUSA-N +HMDB0000060 102.031694058 103.038970458 101.024417658 "Acetoacetic acid" C4H6O3 WDJHALXBUFZDSR-UHFFFAOYSA-N +HMDB0000062 161.105193351 162.112469751 160.097916951 L-Carnitine C7H15NO3 PHIQHXFUZVPYII-ZCFIWIBFSA-N +HMDB0000063 362.20932407 363.21660047 361.20204767 Cortisol C21H30O5 JYGXADMDTFJGBT-VWUMJDOOSA-N +HMDB0000064 131.069476547 132.076752947 130.062200147 Creatine C4H9N3O2 CVSVTCORWBXHQV-UHFFFAOYSA-N +HMDB0000067 386.354866094 387.362142494 385.347589694 Cholesterol C27H46O HVYWMOMLDIMFJA-DPAQBDIFSA-N +HMDB0000068 183.089543287 184.096819687 182.082266887 Epinephrine C9H13NO3 UCTWMZQNUQWSLP-VIFPVBQESA-N +HMDB0000070 129.078978601 130.086255001 128.071702201 "Pipecolic acid" C6H11NO2 HXEACLLIILLPRG-UHFFFAOYSA-N +HMDB0000072 174.016437924 175.023714324 173.009161524 "cis-Aconitic acid" C6H6O6 GTZCVFVGUGFEME-IWQZZHSRSA-N +HMDB0000073 153.078978601 154.086255001 152.071702201 Dopamine C8H11NO2 VYFYYTLLBUKUHU-UHFFFAOYSA-N +HMDB0000076 114.042927446 115.050203846 113.035651046 Dihydrouracil C4H6N2O2 OIVLITBTBDPEFK-UHFFFAOYSA-N +HMDB0000077 288.20893014 289.21620654 287.20165374 Dehydroepiandrosterone C19H28O2 FMGSKLZLMKYGDP-USOAJAOKSA-N +HMDB0000078 178.041212886 179.048489286 177.033936486 Cysteinylglycine C5H10N2O3S ZUKPVRWZDMRIEO-VKHMYHEASA-N +HMDB0000079 128.05857751 129.06585391 127.05130111 Dihydrothymine C5H8N2O2 NBAKTGXDIBVZOO-UHFFFAOYSA-N +HMDB0000086 257.102823889 258.110100289 256.095547489 Glycerophosphocholine C8H20NO6P SUHOQUVVVLNYQR-QMMMGPOBSA-N +HMDB0000087 45.057849229 46.065125629 44.050572829 Dimethylamine C2H7N ROSDSFDQCJNGOL-UHFFFAOYSA-N +HMDB0000089 243.085520541 244.092796941 242.078244141 Cytidine C9H13N3O5 UHDGCWIWMRVCDJ-XVFCMESISA-N +HMDB0000094 192.02700261 193.03427901 191.01972621 "Citric acid" C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N +HMDB0000097 104.107539075 105.114815475 103.100262675 Choline C5H14NO OEYIOHPDSNJKLS-UHFFFAOYSA-N +HMDB0000099 222.067427636 223.074704036 221.060151236 L-Cystathionine C7H14N2O4S ILRYLPWNYFXEMH-WHFBIAKZSA-N +HMDB0000107 182.07903818 183.08631458 181.07176178 Galactitol C6H14O6 FBPFZTCFMRRESA-GUCUJZIJSA-N +HMDB0000108 46.041864814 47.049141214 45.034588414 Ethanol C2H6O LFQSCWFLJHTTHZ-UHFFFAOYSA-N +HMDB0000112 103.063328537 104.070604937 102.056052137 "gamma-Aminobutyric acid" C4H9NO2 BTCSSZJGUNDROE-UHFFFAOYSA-N +HMDB0000115 76.016043994 77.023320394 75.008767594 "Glycolic acid" C2H4O3 AEMRFAOFKBGASW-UHFFFAOYSA-N +HMDB0000118 182.057908808 183.065185208 181.050632408 "Homovanillic acid" C9H10O4 QRMZSPFSDQBLIX-UHFFFAOYSA-N +HMDB0000119 74.00039393 75.00767033 72.99311753 "Glyoxylic acid" C2H2O3 HHLFWLYXYJOTON-UHFFFAOYSA-N +HMDB0000121 441.139681375 442.146957775 440.132404975 "Folic acid" C19H19N7O6 OVBPIULPVIDEAO-LBPRGKRZSA-N +HMDB0000122 180.063388116 181.070664516 179.056111716 D-Glucose C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N +HMDB0000123 75.032028409 76.039304809 74.024752009 Glycine C2H5NO2 DHMQDGOQFOQNFH-UHFFFAOYSA-N +HMDB0000125 307.083805981 308.091082381 306.076529581 Glutathione C10H17N3O6S RWSXRVCMGQZWBV-WDSKDSINSA-N +HMDB0000128 117.053826483 118.061102883 116.046550083 "Guanidoacetic acid" C3H7N3O2 BPMFZUMJYQTVII-UHFFFAOYSA-N +HMDB0000131 92.047344122 93.054620522 91.040067722 Glycerol C3H8O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N +HMDB0000134 116.010958616 117.018235016 115.003682216 "Fumaric acid" C4H4O4 VZCYOOQTPOCHFL-OWOJBTEDSA-N +HMDB0000139 106.02660868 107.03388508 105.01933228 "Glyceric acid" C3H6O4 RBNPOMFGQQGHHO-UWTATZPHSA-N +HMDB0000142 46.005479308 47.012755708 44.998202908 "Formic acid" CH2O2 BDAGIHXWWSANSR-UHFFFAOYSA-N +HMDB0000143 180.063388116 181.070664516 179.056111716 D-Galactose C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N +HMDB0000148 147.053157781 148.060434181 146.045881381 "L-Glutamic acid" C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N +HMDB0000149 61.052763851 62.060040251 60.045487451 Ethanolamine C2H7NO HZAXFHJVJLSVMW-UHFFFAOYSA-N +HMDB0000151 272.177630012 273.184906412 271.170353612 Estradiol C18H24O2 VOXZDWNPVJITMN-ZBRFXRBCSA-N +HMDB0000156 134.021523302 135.028799702 133.014246902 "L-Malic acid" C4H6O5 BJEPYKJPYRNKOW-REOHCLBHSA-N +HMDB0000157 136.03851077 137.04578717 135.03123437 Hypoxanthine C5H4N4O FDGQSTZJBFJUBT-UHFFFAOYSA-N +HMDB0000158 181.073893223 182.081169623 180.066616823 L-Tyrosine C9H11NO3 OUYCCCASQSFEME-QMMMGPOBSA-N +HMDB0000159 165.078978601 166.086255001 164.071702201 L-Phenylalanine C9H11NO2 COLNVLDHVKWLRT-QMMMGPOBSA-N +HMDB0000161 89.047678473 90.054954873 88.040402073 L-Alanine C3H7NO2 QNAYBMKLOCPYGJ-REOHCLBHSA-N +HMDB0000162 115.063328537 116.070604937 114.056052137 L-Proline C5H9NO2 ONIBWKKTOPOVIA-BYPYZUCNSA-N +HMDB0000167 119.058243159 120.065519559 118.050966759 L-Threonine C4H9NO3 AYFVYJQAPQTCCC-GBXIJSLDSA-N +HMDB0000168 132.053492132 133.060768532 131.046215732 L-Asparagine C4H8N2O3 DCXYFEDJOCDNAF-REOHCLBHSA-N +HMDB0000169 180.063388116 181.070664516 179.056111716 D-Mannose C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N +HMDB0000172 131.094628665 132.101905065 130.087352265 L-Isoleucine C6H13NO2 AGPKZVBTJJNPAG-WHFBIAKZSA-N +HMDB0000175 348.047099924 349.054376324 347.039823524 "Inosinic acid" C10H13N4O8P GRSZFWQUAKGDAV-KQYNXXCUSA-N +HMDB0000177 155.069476547 156.076752947 154.062200147 L-Histidine C6H9N3O2 HNDVDQJCIGZPNO-YFKPBYRVSA-N +HMDB0000181 197.068807845 198.076084245 196.061531445 L-Dopa C9H11NO4 WTDRDQBEARUVNC-LURJTMIESA-N +HMDB0000182 146.105527702 147.112804102 145.098251302 L-Lysine C6H14N2O2 KDXKERNSBIXSRK-YFKPBYRVSA-N +HMDB0000187 105.042593095 106.049869495 104.035316695 L-Serine C3H7NO3 MTCFGRXMJLQNBG-REOHCLBHSA-N +HMDB0000190 90.031694058 91.038970458 89.024417658 "L-Lactic acid" C3H6O3 JVTAAEKCZFNVCJ-REOHCLBHSA-N +HMDB0000191 133.037507717 134.044784117 132.030231317 "L-Aspartic acid" C4H7NO4 CKLJMWTZIZZHCS-REOHCLBHSA-N +HMDB0000192 240.023848262 241.031124662 239.016571862 L-Cystine C6H12N2O4S2 LEVWYRKDKASIDU-IMJSIDKUSA-N +HMDB0000193 192.02700261 193.03427901 191.01972621 "Isocitric acid" C6H8O7 ODBLHEXUDAPZAU-UHFFFAOYSA-N +HMDB0000195 268.080769514 269.088045914 267.073493114 Inosine C10H12N4O5 UGQMRVRMYYASKQ-KQYNXXCUSA-N +HMDB0000197 175.063328537 176.070604937 174.056052137 "Indoleacetic acid" C10H9NO2 SEOVTRFCIGRIMH-UHFFFAOYSA-N +HMDB0000201 203.115758031 204.123034431 202.108481631 L-Acetylcarnitine C9H17NO4 RDHQFKQIGNGIED-MRVPVSSYSA-N +HMDB0000202 118.02660868 119.03388508 117.01933228 "Methylmalonic acid" C4H6O4 ZIYVHBGGAOATLY-UHFFFAOYSA-N +HMDB0000207 282.255880332 283.263156732 281.248603932 "Oleic acid" C18H34O2 ZQPPMHVWECSIRJ-KTKRTIGZSA-N +HMDB0000208 146.021523302 147.028799702 145.014246902 "Oxoglutaric acid" C5H6O5 KPGXRSRHYNQIFN-UHFFFAOYSA-N +HMDB0000209 136.0524295 137.0597059 135.0451531 "Phenylacetic acid" C8H8O2 WLJVXDMOQOGPHL-UHFFFAOYSA-N +HMDB0000210 219.110672659 220.117949059 218.103396259 "Pantothenic acid" C9H17NO5 GHOKWGTUZJEAQD-ZETCQYMHSA-N +HMDB0000211 180.063388116 181.070664516 179.056111716 myo-Inositol C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N +HMDB0000214 132.089877638 133.097154038 131.082601238 Ornithine C5H12N2O2 AHLPHDHHMVZTML-BYPYZUCNSA-N +HMDB0000216 169.073893223 170.081169623 168.066616823 Norepinephrine C8H11NO3 SFLSHLFXELFNJZ-QMMMGPOBSA-N +HMDB0000220 256.240230268 257.247506668 255.232953868 "Palmitic acid" C16H32O2 IPCSVZSSVZVIGE-UHFFFAOYSA-N +HMDB0000223 132.005873238 133.013149638 130.998596838 "Oxalacetic acid" C4H4O5 KHPXUQMNIQBQEV-UHFFFAOYSA-N +HMDB0000224 141.019094261 142.026370661 140.011817861 O-Phosphoethanolamine C2H8NO4P SUHOOTKUPISOBE-UHFFFAOYSA-N +HMDB0000230 309.105981211 310.113257611 308.098704811 "N-Acetylneuraminic acid" C11H19NO9 SQVRNKJHWKZAKO-PFQGKNLYSA-N +HMDB0000232 167.021857653 168.029134053 166.014581253 "Quinolinic acid" C7H5NO4 GJAWHXHKYYXBSV-UHFFFAOYSA-N +HMDB0000234 288.20893014 289.21620654 287.20165374 Testosterone C19H28O2 MUMGGOZAMZWBJJ-DYKIIFRCSA-N +HMDB0000235 265.112306876 266.119583276 264.105030476 Thiamine C12H17N4OS JZRWCGZRTZMZEH-UHFFFAOYSA-N +HMDB0000237 74.036779436 75.044055836 73.029503036 "Propionic acid" C3H6O2 XBDQKXXYIPTUBI-UHFFFAOYSA-N +HMDB0000238 237.086189243 238.093465643 236.078912843 Sepiapterin C9H11N5O3 VPVOXUSPXFPWBN-VKHMYHEASA-N +HMDB0000239 169.073893223 170.081169623 168.066616823 Pyridoxine C8H11NO3 LXNHXLLTXMVWPM-UHFFFAOYSA-N +HMDB0000243 88.016043994 89.023320394 87.008767594 "Pyruvic acid" C3H4O3 LCTONWCANYUPML-UHFFFAOYSA-N +HMDB0000244 376.138284392 377.145560792 375.131007992 Riboflavin C17H20N4O6 AUNGANRZJHBGPY-SCRDCRAPSA-N +HMDB0000247 182.07903818 183.08631458 181.07176178 Sorbitol C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N +HMDB0000251 125.014663785 126.021940185 124.007387385 Taurine C2H7NO3S XOAAWQZATWQOTB-UHFFFAOYSA-N +HMDB0000253 316.240230268 317.247506668 315.232953868 Pregnenolone C21H32O2 ORNBQBCIOKFOEO-QGVNFLHTSA-N +HMDB0000254 118.02660868 119.03388508 117.01933228 "Succinic acid" C4H6O4 KDYFGRWQOYBRFD-UHFFFAOYSA-N +HMDB0000259 176.094963016 177.102239416 175.087686616 Serotonin C10H12N2O QZAYGJVTTNCVMB-UHFFFAOYSA-N +HMDB0000262 126.042927446 127.050203846 125.035651046 Thymine C5H6N2O2 RWQNBRDOKXIBIV-UHFFFAOYSA-N +HMDB0000267 129.042593095 130.049869495 128.035316695 "Pyroglutamic acid" C5H7NO3 ODHCTXKNWHHXJC-VKHMYHEASA-N +HMDB0000271 89.047678473 90.054954873 88.040402073 Sarcosine C3H7NO2 FSYKKLYZXJSNPZ-UHFFFAOYSA-N +HMDB0000272 185.008923505 186.016199905 184.001647105 Phosphoserine C3H8NO6P BZQFBWGGLXLEPQ-REOHCLBHSA-N +HMDB0000273 242.090271568 243.097547968 241.082995168 Thymidine C10H14N2O5 IQFYYKKMVGJFEH-XLPZGREQSA-N +HMDB0000283 150.05282343 151.06009983 149.04554703 D-Ribose C5H10O5 HMFHBZSHGGEWLO-SOOFDHNKSA-N +HMDB0000289 168.028340014 169.035616414 167.021063614 "Uric acid" C5H4N4O3 LEHOTFFKMJEONL-UHFFFAOYSA-N +HMDB0000292 152.033425392 153.040701792 151.026148992 Xanthine C5H4N4O2 LRFVTYWOQMYALW-UHFFFAOYSA-N +HMDB0000294 60.03236276 61.03963916 59.02508636 Urea CH4N2O XSQUKJJJFZCRTK-UHFFFAOYSA-N +HMDB0000296 244.069536126 245.076812526 243.062259726 Uridine C9H12N2O6 DRTQHJPVMGBUCF-XVFCMESISA-N +HMDB0000300 112.027277382 113.034553782 111.020000982 Uracil C4H4N2O2 ISAKRJDGNUQOIC-UHFFFAOYSA-N +HMDB0000317 132.07864425 133.08592065 131.07136785 "2-Hydroxy-3-methylpentanoic acid" C6H12O3 RILPIWOPNGRASR-RFZPGFLSSA-N +HMDB0000318 170.057908808 171.065185208 169.050632408 3,4-Dihydroxyphenylglycol C8H10O4 MTVWFVDWRVYDOR-UHFFFAOYSA-N +HMDB0000336 104.047344122 105.054620522 103.040067722 "(R)-3-Hydroxyisobutyric acid" C4H8O3 DBXBTMSZEOQQDU-GSVOUGTGSA-N +HMDB0000337 120.042258744 121.049535144 119.034982344 "(S)-3,4-Dihydroxybutyric acid" C4H8O4 DZAIOXUZHHTJKN-UHFFFAOYSA-N +HMDB0000357 104.047344122 105.054620522 103.040067722 "3-Hydroxybutyric acid" C4H8O3 WHBMMWSBFZVSSR-UHFFFAOYSA-N +HMDB0000360 120.042258744 121.049535144 119.034982344 "2,4-Dihydroxybutanoic acid" C4H8O4 UFYGCFHQAXXBCF-UHFFFAOYSA-N +HMDB0000379 206.042652674 207.049929074 205.035376274 "2-Methylcitric acid" C7H10O7 YNOXCRMFGMSKIJ-UHFFFAOYSA-N +HMDB0000407 118.062994186 119.070270586 117.055717786 "2-Hydroxy-3-methylbutyric acid" C5H10O3 NGEWQZIDQIYUNV-UHFFFAOYSA-N +HMDB0000428 148.037173366 149.044449766 147.029896966 "3-Hydroxyglutaric acid" C5H8O5 ZQHYXNSQOIDNTL-UHFFFAOYSA-N +HMDB0000440 152.047344122 153.054620522 151.040067722 "3-Hydroxyphenylacetic acid" C8H8O3 FVMDYYGIDFPZAX-UHFFFAOYSA-N +HMDB0000448 146.057908808 147.065185208 145.050632408 "Adipic acid" C6H10O4 WNLRTRBMVRJNCN-UHFFFAOYSA-N +HMDB0000450 162.100442324 163.107718724 161.093165924 5-Hydroxylysine C6H14N2O3 YSMODUONRAFBET-UHNVWZDZSA-N +HMDB0000452 103.063328537 104.070604937 102.056052137 "L-alpha-Aminobutyric acid" C4H9NO2 QWCKQJZIFLGMSD-VKHMYHEASA-N +HMDB0000462 158.043990078 159.051266478 157.036713678 Allantoin C4H6N4O3 POJWUDADGALRAB-UHFFFAOYSA-N +HMDB0000464 39.962591155 40.969867555 38.955314755 Calcium Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N +HMDB0000468 237.086189243 238.093465643 236.078912843 Biopterin C9H11N5O3 LHQIJBMDNUYRAM-DZSWIPIPSA-N +HMDB0000472 220.08479226 221.09206866 219.07751586 5-Hydroxy-L-tryptophan C11H12N2O3 LDCYZAJDBXYCGN-VIFPVBQESA-N +HMDB0000479 169.085126611 170.092403011 168.077850211 3-Methylhistidine C7H11N3O2 JDHILDINMRGULE-LURJTMIESA-N +HMDB0000482 144.115029756 145.122306156 143.107753356 "Caprylic acid" C8H16O2 WWZKQHOCKIZLMA-UHFFFAOYSA-N +HMDB0000491 130.062994186 131.070270586 129.055717786 "3-Methyl-2-oxovaleric acid" C6H10O3 JVQYSWDUAOAHFM-UHFFFAOYSA-N +HMDB0000492 34.968852707 35.976129107 33.961576307 "Chloride ion" Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M +HMDB0000500 138.031694053 139.038970453 137.024417653 "4-Hydroxybenzoic acid" C7H6O3 FJKROLUGYXJWQN-UHFFFAOYSA-N +HMDB0000501 400.334130652 401.341407052 399.326854252 7-Ketocholesterol C27H44O2 YIKKMWSQVKJCOP-QJFKPLHKSA-N +HMDB0000508 152.068473494 153.075749894 151.061197094 Ribitol C5H12O5 HEBKCHPVOIAQTA-ZXFHETKHSA-N +HMDB0000517 174.111675712 175.118952112 173.104399312 L-Arginine C6H14N4O2 ODKSFYDXXFIFQN-BYPYZUCNSA-N +HMDB0000522 144.042258744 145.049535144 143.034982344 "3-Methylglutaconic acid" C6H8O4 WKRBKYFIJPGYQC-DUXPYHPUSA-N +HMDB0000531 118.062994186 119.070270586 117.055717786 "3-Hydroxyvaleric acid" C5H10O3 REKYPYSUBKSCAT-UHFFFAOYSA-N +HMDB0000535 116.083729628 117.091006028 115.076453228 "Caproic acid" C6H12O2 FUZZWVXGSFPDMH-UHFFFAOYSA-N +HMDB0000538 506.995745159 508.003021559 505.988468759 "Adenosine triphosphate" C10H16N5O13P3 ZKHQWZAMYRWXGA-KQYNXXCUSA-N +HMDB0000547 23.985041898 24.992318298 22.977765498 Magnesium Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N +HMDB0000557 131.094628665 132.101905065 130.087352265 L-Alloisoleucine C6H13NO2 AGPKZVBTJJNPAG-UHNVWZDZSA-N +HMDB0000562 113.058911861 114.066188261 112.051635461 Creatinine C4H7N3O DDRJAANPRJIHGJ-UHFFFAOYSA-N +HMDB0000568 152.068473494 153.075749894 151.061197094 D-Arabitol C5H12O5 HEBKCHPVOIAQTA-QWWZWVQMSA-N +HMDB0000574 121.019749163 122.027025563 120.012472763 L-Cysteine C3H7NO2S XUJNEKJLAYXESH-REOHCLBHSA-N +HMDB0000586 38.963706861 39.970983261 37.956430461 Potassium K NPYPAHLBTDXSSS-UHFFFAOYSA-N +HMDB0000588 22.989769675 23.997046075 21.982493275 Sodium Na FKNQFGJONOIPTF-UHFFFAOYSA-N +HMDB0000595 62.00039393 63.00767033 60.99311753 "Hydrogen carbonate" CH2O3 BVKZGUZCCUSVTD-UHFFFAOYSA-N +HMDB0000599 51.940511904 52.947788304 50.933235504 Chromium Cr BFGKITSFLPAWGI-UHFFFAOYSA-N +HMDB0000606 148.037173366 149.044449766 147.029896966 "D-2-Hydroxyglutaric acid" C5H8O5 HWXBTNAVRSUOJR-GSVOUGTGSA-N +HMDB0000607 1355.575230332 1356.582506732 1354.567953932 Cyanocobalamin C63H89CoN14O14P SEKGMJVHSBBHRD-WZHZPDAFSA-M +HMDB0000608 58.933200194 59.940476594 57.925923794 Cobalt Co XLJKHNWPARRRJB-UHFFFAOYSA-N +HMDB0000613 136.037173366 137.044449766 135.029896966 "Erythronic acid" C4H8O5 JPIJQSOTBSSVTP-PWNYCUMCSA-N +HMDB0000622 132.042258744 133.049535144 131.034982344 "Ethylmalonic acid" C5H8O4 UKFXDFUAPNAMPJ-UHFFFAOYSA-N +HMDB0000638 200.177630012 201.184906412 199.170353612 "Dodecanoic acid" C12H24O2 POULHZVOKOAJMA-UHFFFAOYSA-N +HMDB0000641 146.069142196 147.076418596 145.061865796 L-Glutamine C5H10N2O3 ZDXPYRJPNDTMRX-VKHMYHEASA-N +HMDB0000646 150.05282343 151.06009983 149.04554703 L-Arabinose C5H10O5 SRBFZHDQGSBBOR-HWQSCIPKSA-N +HMDB0000657 62.929601079 63.936877479 61.922324679 Copper Cu JPVYNHNXODAKFH-UHFFFAOYSA-N +HMDB0000660 180.063388116 181.070664516 179.056111716 D-Fructose C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N +HMDB0000661 132.042258744 133.049535144 131.034982344 "Glutaric acid" C5H8O4 JFCQEDHGNNZCLN-UHFFFAOYSA-N +HMDB0000670 188.127325776 189.134602176 187.120049376 Homo-L-arginine C7H16N4O2 QUOGESRFPZDMMT-YFKPBYRVSA-N +HMDB0000673 280.240230268 281.247506668 279.232953868 "Linoleic acid" C18H32O2 OYHQOLUKZRVURQ-HZJYTTRNSA-N +HMDB0000675 253.80893684 254.81621324 252.80166044 Iodine I2 PNDPGZBMCMUPRI-UHFFFAOYSA-N +HMDB0000676 268.05514839 269.06242479 267.04787199 L-Homocystine C8H16N2O4S2 ZTVZLYBCZNMWCF-ZBHICJROSA-N +HMDB0000684 208.08479226 209.09206866 207.07751586 L-Kynurenine C10H12N2O3 YGPSJZOEDVAXAB-QMMMGPOBSA-N +HMDB0000687 131.094628665 132.101905065 130.087352265 L-Leucine C6H13NO2 ROHFNLRQFUQHCH-YFKPBYRVSA-N +HMDB0000691 104.010958616 105.018235016 103.003682216 "Malonic acid" C3H4O4 OFOBLEOULBTSOW-UHFFFAOYSA-N +HMDB0000692 55.934942133 56.942218533 54.927665733 Fe2+ Fe CWYNVVGOOAEACU-UHFFFAOYSA-N +HMDB0000694 148.037173366 149.044449766 147.029896966 "L-2-Hydroxyglutaric acid" C5H8O5 HWXBTNAVRSUOJR-VKHMYHEASA-N +HMDB0000695 130.062994186 131.070270586 129.055717786 Ketoleucine C6H10O3 BKAJNAXTPSGJCU-UHFFFAOYSA-N +HMDB0000696 149.051049291 150.058325691 148.043772891 L-Methionine C5H11NO2S FFEARJCKVFRZRR-BYPYZUCNSA-N +HMDB0000700 90.031694058 91.038970458 89.024417658 "Hydroxypropionic acid" C3H6O3 ALRHLSYJTWAHJZ-UHFFFAOYSA-N +HMDB0000710 104.047344122 105.054620522 103.040067722 "4-Hydroxybutyric acid" C4H8O3 SJZRECIVHVDYJC-UHFFFAOYSA-N +HMDB0000714 179.058243159 180.065519559 178.050966759 "Hippuric acid" C9H9NO3 QIAFMBKCNZACKA-UHFFFAOYSA-N +HMDB0000715 189.042593095 190.049869495 188.035316695 "Kynurenic acid" C10H7NO3 HCZHHEIFKROPDY-UHFFFAOYSA-N +HMDB0000718 102.068079564 103.075355964 101.060803164 "Isovaleric acid" C5H10O2 GWYFCOCPABKNJV-UHFFFAOYSA-N +HMDB0000721 172.08479226 173.09206866 171.07751586 Glycylproline C7H12N2O3 KZNQNBZMBZJQJO-UHFFFAOYSA-N +HMDB0000725 131.058243159 132.065519559 130.050966759 4-Hydroxyproline C5H9NO3 PMMYEEVYMWASQN-DMTCNVIQSA-N +HMDB0000742 135.035399227 136.042675627 134.028122827 Homocysteine C4H9NO2S FFFHZYDWPBMWHY-UHFFFAOYSA-N +HMDB0000744 134.021523302 135.028799702 133.014246902 "Malic acid" C4H6O5 BJEPYKJPYRNKOW-UHFFFAOYSA-N +HMDB0000745 240.122240398 241.129516798 239.114963998 Homocarnosine C10H16N4O3 CCLQKVKJOGVQLU-QMMMGPOBSA-N +HMDB0000746 132.07864425 133.08592065 131.07136785 "Hydroxyisocaproic acid" C6H12O3 LVRFTAZAXQPQHI-YFKPBYRVSA-N +HMDB0000751 150.05282343 151.06009983 149.04554703 L-Threo-2-pentulose C5H10O5 ZAQJHHRNXZUBTE-WVZVXSGGSA-N +HMDB0000754 118.062994186 119.070270586 117.055717786 "3-Hydroxyisovaleric acid" C5H10O3 AXFYFNCPONWUHW-UHFFFAOYSA-N +HMDB0000755 182.057908808 183.065185208 181.050632408 "Hydroxyphenyllactic acid" C9H10O4 JVGVDSSUAVXRDY-UHFFFAOYSA-N +HMDB0000763 191.058243159 192.065519559 190.050966759 "5-Hydroxyindoleacetic acid" C10H9NO3 DUUGKQCEGZLZNO-UHFFFAOYSA-N +HMDB0000765 182.07903818 183.08631458 181.07176178 Mannitol C6H14O6 FBPFZTCFMRRESA-KVTDHHQDSA-N +HMDB0000784 188.104859 189.1121354 187.0975826 "Azelaic acid" C9H16O4 BDJRBEYXGGNYIS-UHFFFAOYSA-N +HMDB0000787 241.117489371 242.124765771 240.110212971 Sapropterin C9H15N5O3 FNKQXYHWGSIFBK-BYAPIUGTSA-N +HMDB0000797 454.073708604 455.080985004 453.066432204 SAICAR C13H19N4O12P NAQGHJTUZRHGAC-ZZZDFHIKSA-N +HMDB0000806 228.20893014 229.21620654 227.20165374 "Myristic acid" C14H28O2 TUNFSRHWOTWDNC-UHFFFAOYSA-N +HMDB0000812 175.048072403 176.055348803 174.040796003 "N-Acetyl-L-aspartic acid" C6H9NO5 OTCCIMWXFLJLIA-BYPYZUCNSA-N +HMDB0000819 183.089543287 184.096819687 182.082266887 Normetanephrine C9H13NO3 YNYAYWLBAHXHLL-UHFFFAOYSA-N +HMDB0000824 217.131408101 218.138684501 216.124131701 Propionylcarnitine C10H19NO4 UFAHZIUFPNSHSL-UHFFFAOYSA-N +HMDB0000827 284.271530396 285.278806796 283.264253996 "Stearic acid" C18H36O2 QIQXTHQIDYTFRH-UHFFFAOYSA-N +HMDB0000830 267.095416525 268.102692925 266.088140125 "Neuraminic acid" C9H17NO8 CERZMXAJYMMUDR-YOQZMRDMSA-N +HMDB0000845 253.081103865 254.088380265 252.073827465 Neopterin C9H11N5O4 BMQYVXCPAOLZOK-UHFFFAOYSA-N +HMDB0000863 60.057514878 61.064791278 59.050238478 "Isopropyl alcohol" C3H8O KFZMGEQAYNKOFK-UHFFFAOYSA-N +HMDB0000870 111.079647303 112.086923703 110.072370903 Histamine C5H9N3 NTYJJOPFIAHURM-UHFFFAOYSA-N +HMDB0000883 117.078978601 118.086255001 116.071702201 L-Valine C5H11NO2 KZSNJWFQEVHDMF-BYPYZUCNSA-N +HMDB0000893 174.089208936 175.096485336 173.081932536 "Suberic acid" C8H14O4 TYFQFVWCELRYAO-UHFFFAOYSA-N +HMDB0000895 146.118103761 147.125380161 145.110827361 "Acetylcholine " C7H16NO2 OIPILFWXSMYKGL-UHFFFAOYSA-N +HMDB0000898 125.095297367 126.102573767 124.088020967 1-Methylhistamine C6H11N3 FHQDWPCFSJMNCT-UHFFFAOYSA-N +HMDB0000904 175.095691297 176.102967697 174.088414897 Citrulline C6H13N3O3 RHGKLRLOHDJJDR-BYPYZUCNSA-N +HMDB0000906 59.073499293 60.080775693 58.066222893 Trimethylamine C3H9N GETQZCLCWQTVFV-UHFFFAOYSA-N +HMDB0000912 383.107712545 384.114988945 382.100436145 Succinyladenosine C14H17N5O8 VKGZCEJTCKHMRL-VWJPMABRSA-N +HMDB0000929 204.089877638 205.097154038 203.082601238 L-Tryptophan C11H12N2O2 QIVBCDIJIAJPQS-VIFPVBQESA-N +HMDB0000939 384.12158847 385.12886487 383.11431207 S-Adenosylhomocysteine C14H20N6O5S ZJUKTBDSGOFHSH-WFMPWKQPSA-N +HMDB0000990 44.02621475 45.03349115 43.01893835 Acetaldehyde C2H4O IKHGUXGNUITLKF-UHFFFAOYSA-N +HMDB0000996 153.009578407 154.016854807 152.002302007 3-Sulfinoalanine C3H7NO4S WVMUCBHSEHBMKA-REOHCLBHSA-N +HMDB0001035 1045.534514801 1046.541791201 1044.527238401 "Angiotensin II" C50H71N13O12 CZGUSIXMZVURDU-JZXHSEFVSA-N +HMDB0001043 304.240230268 305.247506668 303.232953868 "Arachidonic acid" C20H32O2 YZXBAPSDXZZRGB-DOFZRALJSA-N +HMDB0001046 176.094963016 177.102239416 175.087686616 Cotinine C10H12N2O UIKROCXWUNQSPJ-UHFFFAOYSA-N +HMDB0001067 304.090665498 305.097941898 303.083389098 "N-Acetylaspartylglutamic acid" C11H16N2O8 OPVPGKGADVGKTG-UHFFFAOYSA-N +HMDB0001085 336.230059512 337.237335912 335.222783112 "Leukotriene B4" C20H32O4 VNYSSYRCGWBHLG-AMOLWHMGSA-N +HMDB0001123 137.047678473 138.054954873 136.040402073 "2-Aminobenzoic acid" C7H7NO2 RWZYAGGXGHYGMB-UHFFFAOYSA-N +HMDB0001139 354.240624198 355.247900598 353.233347798 "Prostaglandin F2a" C20H34O5 PXGPLTODNUVGFL-UAAPODJFSA-N +HMDB0001185 399.145063566 400.152339966 398.137787166 S-Adenosylmethionine C15H23N6O5S MEFKEPWMEQBLKI-AIRLBKTGSA-O +HMDB0001189 179.094628665 180.101905065 178.087352265 2(N)-Methyl-norsalsolinol C10H13NO2 WETXYFNVBDLWIW-UHFFFAOYSA-N +HMDB0001198 625.303300807 626.310577207 624.296024407 "Leukotriene C4" C30H47N3O9S GWNVDXQDILPJIG-NXOLIXFESA-N +HMDB0001201 443.024329371 444.031605771 442.017052971 "Guanosine diphosphate" C10H15N5O11P2 QGWNDRXFNXRZMB-UUOKFMHZSA-N +HMDB0001220 352.224974134 353.232250534 351.217697734 "Prostaglandin E2" C20H32O5 XEYBRNLFEZDVAW-ARSRFYASSA-N +HMDB0001247 26.981538441 27.988814841 25.974262041 Aluminum Al XAGFODPZIPBFFR-UHFFFAOYSA-N +HMDB0001256 202.215746852 203.223023252 201.208470452 Spermine C10H26N4 PFNFFQXMRSDOHW-UHFFFAOYSA-N +HMDB0001257 145.157897623 146.165174023 144.150621223 Spermidine C7H19N3 ATHGHQPFGPMSJY-UHFFFAOYSA-N +HMDB0001259 102.031694058 103.038970458 101.024417658 "Succinic acid semialdehyde" C4H6O3 UIUJIQZEACWQSV-UHFFFAOYSA-N +HMDB0001273 522.990659781 523.997936181 521.983383381 "Guanosine triphosphate" C10H16N5O14P3 XKMLYUALXHKNFT-UUOKFMHZSA-N +HMDB0001302 97.905407846 98.912684246 96.898131446 Molybdenum Mo MMVYPOCJESWGTC-UHFFFAOYSA-N +HMDB0001310 89.047678473 90.054954873 88.040402073 D-Alanine C3H7NO2 QNAYBMKLOCPYGJ-UWTATZPHSA-N +HMDB0001311 90.031694058 91.038970458 89.024417658 "D-Lactic acid" C3H6O3 JVTAAEKCZFNVCJ-UWTATZPHSA-N +HMDB0001314 345.047434275 346.054710675 344.040157875 "Cyclic GMP" C10H12N5O7P ZOOGRGPOEVQQDX-UUOKFMHZSA-N +HMDB0001315 30.973761512 31.981037912 29.966485112 Phosphorus P OAICVXFJPJFONN-UHFFFAOYSA-N +HMDB0001325 188.152477894 189.159754294 187.145201494 N6,N6,N6-Trimethyl-L-lysine C9H20N2O2 MXNRLFUSFKVQSK-QMMMGPOBSA-N +HMDB0001327 84.911789341 85.919065741 83.904512941 Rubidium Rb NCCSSGKUIKYAJD-UHFFFAOYSA-N +HMDB0001333 54.938049636 55.945326036 53.930773236 Manganese Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N +HMDB0001336 168.042258744 169.049535144 167.034982344 "3,4-Dihydroxybenzeneacetic acid" C8H8O4 CFFZDZCDUFSOFZ-UHFFFAOYSA-N +HMDB0001341 427.029414749 428.036691149 426.022138349 ADP C10H15N5O10P2 XTWYTFMLZFPYCI-KQYNXXCUSA-N +HMDB0001348 731.606699942 732.613976342 730.599423542 SM(d18:1/18:0) C41H84N2O6P LKQLRGMMMAHREN-YJFXYUILSA-O +HMDB0001349 79.916521828 80.923798228 78.909245428 Selenium Se MFSBVGSNNPNWMD-UHFFFAOYSA-N +HMDB0001355 291.033029765 292.040306165 290.025753365 Parathion C10H14NO5PS LCCNCVORNKJIRZ-UHFFFAOYSA-N +HMDB0001372 425.044967696 426.052244096 424.037691296 "Thiamine pyrophosphate" C12H19N4O7P2S AYEKOFBPNLCAJY-UHFFFAOYSA-O +HMDB0001389 232.121177766 233.128454166 231.113901366 Melatonin C13H16N2O2 DRLFMBDRBRZALE-UHFFFAOYSA-N +HMDB0001396 459.186631567 460.193907967 458.179355167 "5-Methyltetrahydrofolic acid" C20H25N7O6 ZNOVTXRBGFNYRX-ZGTCLIOFSA-N +HMDB0001403 352.224974134 353.232250534 351.217697734 "Prostaglandin D2" C20H32O5 BHMBVRSPMRCCGG-OUTUXVNYSA-N +HMDB0001414 88.100048394 89.107324794 87.092771994 Putrescine C4H12N2 KIDHWZJUCRJVML-UHFFFAOYSA-N +HMDB0001419 402.349780716 403.357057116 401.342504316 24-Hydroxycholesterol C27H46O2 IOWMKBFJCNLRTC-XWXSNNQWSA-N +HMDB0001431 168.089877638 169.097154038 167.082601238 Pyridoxamine C8H12N2O2 NHZMQXZHNVQTQA-UHFFFAOYSA-N +HMDB0001432 130.121846468 131.129122868 129.114570068 Agmatine C5H14N4 QYPPJABKJHAVHS-UHFFFAOYSA-N +HMDB0001434 211.084457909 212.091734309 210.077181509 3-Methoxytyrosine C10H13NO4 PFDUUKDQEHURQC-UHFFFAOYSA-N +HMDB0001449 318.255880332 319.263156732 317.248603932 Allopregnanolone C21H34O2 AURFZBICLPNKBZ-SYBPFIFISA-N +HMDB0001452 352.224974134 353.232250534 351.217697734 "Thromboxane A2" C20H32O5 DSNBHJFQCNUKMA-SCKDECHMSA-N +HMDB0001453 57.975144695 58.982421095 56.967868295 Thiocyanate CNS ZMZDMBWJUHKJPS-UHFFFAOYSA-M +HMDB0001475 89.904703679 90.911980079 88.897427279 Zirconium Zr GBNDTYKAOXLLID-UHFFFAOYSA-N +HMDB0001478 71.949056008 72.956332408 70.941779608 Gallium GaH3 PHMDYZQXPPOZDG-UHFFFAOYSA-N +HMDB0001488 123.032028409 124.039304809 122.024752009 "Nicotinic acid" C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N +HMDB0001490 184.073558872 185.080835272 183.066282472 Vanylglycol C9H12O4 FBWPWWWZWKPJFL-UHFFFAOYSA-N +HMDB0001491 247.024573569 248.031849969 246.017297169 "Pyridoxal 5'-phosphate" C8H10NO6P NGVDGCNFYWLIFO-UHFFFAOYSA-N +HMDB0001496 402.349780716 403.357057116 401.342504316 7a-Hydroxycholesterol C27H46O2 OYXZMSRRJOYLLO-AWBHSAGMSA-N +HMDB0001509 352.224974134 353.232250534 351.217697734 "20-Hydroxy-leukotriene B4" C20H32O5 PTJFJXLGRSTECQ-PSPARDEHSA-N +HMDB0001522 73.063997239 74.071273639 72.056720839 Methylguanidine C2H7N3 CHJJGSNFBQVOTG-UHFFFAOYSA-N +HMDB0001539 202.14297584 203.15025224 201.13569944 "Asymmetric dimethylarginine" C8H18N4O2 YDGMGEXADBMOMJ-LURJTMIESA-N +HMDB0001545 167.058243159 168.065519559 166.050966759 Pyridoxal C8H9NO3 RADKZDMFGJYCBB-UHFFFAOYSA-N +HMDB0001565 184.073869485 185.081145885 183.066593085 Phosphorylcholine C5H15NO4P YHHSONZFOIEMCP-UHFFFAOYSA-O +HMDB0001644 150.05282343 151.06009983 149.04554703 D-Xylulose C5H10O5 ZAQJHHRNXZUBTE-WUJLRWPWSA-N +HMDB0001659 58.041864814 59.049141214 57.034588414 Acetone C3H6O CSCPPACGZOOCGX-UHFFFAOYSA-N +HMDB0001830 314.224580204 315.231856604 313.217303804 Progesterone C21H30O2 RJKFOVLPORLFTN-LEKSSAKUSA-N +HMDB0001842 59.048347175 60.055623575 58.041070775 Guanidine CH5N3 ZRALSGWEFCBTJO-UHFFFAOYSA-N +HMDB0001847 194.080375584 195.087651984 193.073099184 Caffeine C8H10N4O2 RYYVLZVUVIJVGH-UHFFFAOYSA-N +HMDB0001851 152.068473494 153.075749894 151.061197094 L-Arabitol C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N +HMDB0001855 177.078978601 178.086255001 176.071702201 5-Hydroxytryptophol C10H11NO2 KQROHCSYOGBQGJ-UHFFFAOYSA-N +HMDB0001859 151.063328537 152.070604937 150.056052137 Acetaminophen C8H9NO2 RZVAJINKPMORJF-UHFFFAOYSA-N +HMDB0001860 180.06472552 181.07200192 179.05744912 Paraxanthine C7H8N4O2 QUNWUDVFRNGTCO-UHFFFAOYSA-N +HMDB0001873 88.0524295 89.0597059 87.0451531 "Isobutyric acid" C4H8O2 KQNPFQTWMSNSAP-UHFFFAOYSA-N +HMDB0001875 32.02621475 33.03349115 31.01893835 Methanol CH4O OKKJLVBELUTLKV-UHFFFAOYSA-N +HMDB0001881 76.0524295 77.0597059 75.0451531 "Propylene glycol" C3H8O2 DNIAPMSPPWPWGF-UHFFFAOYSA-N +HMDB0001889 180.06472552 181.07200192 179.05744912 Theophylline C7H8N4O2 ZFXYFBGIUFBOJW-UHFFFAOYSA-N +HMDB0001893 430.381080844 431.388357244 429.373804444 alpha-Tocopherol C29H50O2 GVJHHUAWPYXKBD-IEOSBIPESA-N +HMDB0001896 191.094628665 192.101905065 190.087352265 5-Methoxytryptophol C11H13NO2 QLWKTGDEPLRFAT-UHFFFAOYSA-N +HMDB0001897 1346.728146002 1347.735422402 1345.720869602 "Substance P" C63H98N18O13S ADNPLDHMAVUMIW-SGTHPBLKSA-N +HMDB0001904 226.05897144 227.06624784 225.05169504 3-Nitrotyrosine C9H10N2O5 FBTSQILOGYXGMD-LURJTMIESA-N +HMDB0001920 271.193614427 272.200890827 270.186338027 Dextromethorphan C18H25NO MKXZASYAUGDDCJ-CGTJXYLNSA-N +HMDB0001925 206.13067982 207.13795622 205.12340342 Ibuprofen C13H18O2 HEFNNWSXXWATRW-UHFFFAOYSA-N +HMDB0001929 361.143784348 362.151060748 360.136507948 Levofloxacin C18H20FN3O4 GSDSWSVVBLHKDQ-JTQLQIEISA-N +HMDB0001959 231.158291553 232.165567953 230.151015153 Gamma-Aminobutyryl-lysine C10H21N3O3 OCBQYJFUZHJRIU-UHFFFAOYSA-N +HMDB0001960 123.933496699 124.940773099 122.926220299 Tin H4Sn PXQLTWWGPFDWNT-UHFFFAOYSA-N +HMDB0001966 47.947947053 48.955223453 46.940670653 Titanium Ti LCKIEQZJEYYRIY-UHFFFAOYSA-N +HMDB0001980 1055.431705989 1056.438982389 1054.424429589 Vasopressin C46H65N13O12S2 BJFIDCADFRDPIO-ZCCHBGLBSA-N +HMDB0001989 183.950932553 184.958208953 182.943656153 Tungsten W YFGRPIXHCIXTLM-UHFFFAOYSA-N +HMDB0002013 231.14705816 232.15433456 230.13978176 Butyrylcarnitine C11H21NO4 QWYFHHGCZUCMBN-SECBINFHSA-N +HMDB0002017 121.089149357 122.096425757 120.081872957 1-Phenylethylamine C8H11N RQEUFEKYXDPUSK-UHFFFAOYSA-N +HMDB0002024 126.042927446 127.050203846 125.035651046 "Imidazoleacetic acid" C5H6N2O2 PRJKNHOMHKJCEJ-UHFFFAOYSA-N +HMDB0002027 384.33921603 385.34649243 383.33193963 8-Dehydrocholesterol C27H44O VUKORTMHZDZZFR-BXAZICILSA-N +HMDB0002031 146.069142196 147.076418596 145.061865796 "Ureidoisobutyric acid" C5H10N2O3 PHENTZNALBMCQD-UHFFFAOYSA-N +HMDB0002032 167.044324429 168.051600829 166.037048029 8-Hydroxyguanine C5H5N5O2 CLGFIVUFZRGQRP-UHFFFAOYSA-N +HMDB0002038 160.121177766 161.128454166 159.113901366 N(6)-Methyllysine C7H16N2O2 PQNASZJZHFPQLE-LURJTMIESA-N +HMDB0002044 299.086583173 300.093859573 298.079306773 8-Hydroxyguanosine C10H13N5O6 FPGSEBKFEJEOSA-UMMCILCDSA-N +HMDB0002061 "Hyaluronic acid" (C14H21NO11)nH2O LJKKEBYAXYCTNF-GIXQJHCPSA-N +HMDB0002100 299.282429433 300.289705833 298.275153033 Palmitoylethanolamide C18H37NO2 HXYVTAGFYLMHSO-UHFFFAOYSA-N +HMDB0002103 402.349780716 403.357057116 401.342504316 27-Hydroxycholesterol C27H46O2 FYHRJWMENCALJY-YSQMORBQSA-N +HMDB0002111 18.010564686 19.017841086 17.003288286 Water H2O XLYOFNOQVPJJNP-UHFFFAOYSA-N +HMDB0002151 78.013935504 79.021211904 77.006659104 "Dimethyl sulfoxide" C2H6OS IAZDPXIOMUYVGZ-UHFFFAOYSA-N +HMDB0002174 1328.563777 1329.5710534 1327.5565006 Cobalamin C62H88CoN13O14P NSLAUEAQDBERRV-DSRCUDDDSA-L +HMDB0002175 27.976926533 28.984202933 26.969650133 Silicon Si RWMKKWXZFRMVPB-UHFFFAOYSA-N +HMDB0002179 62.995642896 64.002919296 61.988366496 Peroxynitrite HNO3 CMFNMSMUKZHDEY-UHFFFAOYSA-N +HMDB0002183 328.240230268 329.247506668 327.232953868 "Docosahexaenoic acid" C22H32O2 MBMBGCFOFBJSGT-KUBAVDMBSA-N +HMDB0002200 439.239244469 440.246520869 438.231968069 "Leukotriene E4" C23H37NO5S OTZRAYGBFWZKMX-FRFVZSDQSA-N +HMDB0002243 123.032028409 124.039304809 122.024752009 "Picolinic acid" C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N +HMDB0002265 338.245709576 339.252985976 337.238433176 14,15-DiHETrE C20H34O4 SYAWGTIVOGUZMM-ILYOTBPNSA-N +HMDB0002274 1343.587806391 1344.595082791 1342.580529991 Methylcobalamin C63H91CoN13O14P JEWJRMKHSMTXPP-WZHZPDAFSA-L +HMDB0002283 320.23514489 321.24242129 319.22786849 14R,15S-EpETrE C20H32O3 JBSCUHKPLGKXKH-LLZJRKGESA-N +HMDB0002290 74.921596417 75.928872817 73.914320017 Arsenic As LULLIKNODDLMDQ-UHFFFAOYSA-N +HMDB0002303 62.019020882 63.026297282 61.011744482 Dimethylsulfide C2H6S QMMFVYPAHWMCMS-UHFFFAOYSA-N +HMDB0002311 338.245709576 339.252985976 337.238433176 8,9-DiHETrE C20H34O4 DCJBINATHQHPKO-TYAUOURKSA-N +HMDB0002314 338.245709576 339.252985976 337.238433176 11,12-DiHETrE C20H34O4 LRPPQRCHCPFBPE-KROJNAHFSA-N +HMDB0002386 11.009305466 12.016581866 10.002029066 Boron B FRWDHMWMHYXNLW-UHFFFAOYSA-N +HMDB0002387 9.012182135 10.019458535 8.004905735 Beryllium Be PWOSZCQLSAMRQW-UHFFFAOYSA-N +HMDB0002457 57.935347922 58.942624322 56.928071522 Nickel Ni VEQPNABPJHWNSG-UHFFFAOYSA-N +HMDB0002500 78.918337647 79.925614047 77.911061247 Bromide Br CPELXLSAUQHCOX-UHFFFAOYSA-M +HMDB0002503 50.943963675 51.951240075 49.936687275 Vanadium V KOKKJWHERHSKEB-UHFFFAOYSA-N +HMDB0002659 106.90509302 107.91236942 105.89781662 Silver Ag FOIXSVOLVBLSDH-UHFFFAOYSA-N +HMDB0002666 344.070812254 345.078088654 343.063535854 "Thiamine monophosphate" C12H17N4O4PS HZSAJDVWZRBGIF-UHFFFAOYSA-N +HMDB0002712 164.068473494 165.075749894 163.061197094 1,5-Anhydrosorbitol C6H12O5 MPCAJMNYNOGXPB-SLPGGIOYSA-N +HMDB0002786 47.000728281 48.008004681 45.993451881 Nitrite HNO2 IOVCWXUNBOPUCH-UHFFFAOYSA-N +HMDB0002820 140.05857751 141.06585391 139.05130111 "Methylimidazoleacetic acid" C6H8N2O2 ZHCKPJGJQOPTLB-UHFFFAOYSA-N +HMDB0002825 180.06472552 181.07200192 179.05744912 Theobromine C7H8N4O2 YAPQBXQYLJRXSA-UHFFFAOYSA-N +HMDB0002865 1006.436457016 1007.443733416 1005.429180616 Oxytocin C43H66N12O12S2 XNOPRXBHLZRZKH-MQYCRUOZSA-N +HMDB0002878 61.987817871 62.995094271 60.980541471 Nitrate NO3 NHNBFGGVMKEFGY-UHFFFAOYSA-N +HMDB0002886 370.23553882 371.24281522 369.22826242 "6-Keto-prostaglandin F1a" C20H34O6 KFGOFTHODYBSGM-ZUNNJUQCSA-N +HMDB0002917 152.068473494 153.075749894 151.061197094 D-Xylitol C5H12O5 HEBKCHPVOIAQTA-NGQZWQHPSA-N +HMDB0002961 290.224580204 291.231856604 289.217303804 Dihydrotestosterone C19H30O2 NVKAWKQGWWIWPM-ABEVXSGRSA-N +HMDB0002994 122.057908808 123.065185208 121.050632408 Erythritol C4H10O4 UNXHWFMMPAWVPI-ZXZARUISSA-N +HMDB0003080 496.26070819 497.26798459 495.25343179 "Leukotriene D4" C25H40N2O6S YEESKJGWJFYOOK-IJHYULJSSA-N +HMDB0003157 175.059305791 176.066582191 174.052029391 "Guanidinosuccinic acid" C5H9N3O4 VVHOUVWJCQOYGG-REOHCLBHSA-N +HMDB0003208 296.307915902 297.315192302 295.300639502 Thromboxane C20H40O RZWIIPASKMUIAC-VQTJNVASSA-N +HMDB0003229 254.224580204 255.231856604 253.217303804 "Palmitoleic acid" C16H30O2 SECPZKHBENQXJG-FPLPWBNLSA-N +HMDB0003252 370.23553882 371.24281522 369.22826242 "Thromboxane B2" C20H34O6 XNRNNGPBEPRNAR-JQBLCGNGSA-N +HMDB0003332 264.030373428 265.037649828 263.023097028 "3-Methoxy-4-Hydroxyphenylglycol sulfate" C9H12O7S SBKADJXSGGTEPN-UHFFFAOYSA-N +HMDB0003337 612.151961898 613.159238298 611.144685498 "Oxidized glutathione" C20H32N6O12S2 YPZRWBKMTBYPTK-UHFFFAOYSA-N +HMDB0003366 58.041864814 59.049141214 57.034588414 Propanal C3H6O NBBJYMSMWIIQGU-UHFFFAOYSA-N +HMDB0003378 29.997988627 31.005265027 28.990712227 "Nitric oxide" NO MWUXSHHQAYIFBG-UHFFFAOYSA-N +HMDB0003379 257.909555916 258.916832316 256.902279516 Triphosphate H5O10P3 UNXRWKVEANCORM-UHFFFAOYSA-N +HMDB0003406 105.042593095 106.049869495 104.035316695 D-Serine C3H7NO3 MTCFGRXMJLQNBG-UWTATZPHSA-N +HMDB0003464 145.085126611 146.092403011 144.077850211 "4-Guanidinobutanoic acid" C5H11N3O2 TUHVEAJXIMEOSA-UHFFFAOYSA-N +HMDB0003625 201.970625604 202.977902004 200.963349204 Mercury Hg BQPIGGFYSBELGY-UHFFFAOYSA-N +HMDB0003626 193.110278729 194.117555129 192.103002329 (R)-N-Methylsalsolinol C11H15NO2 RKMGOUZXGHZLBJ-SSDOTTSWSA-N +HMDB0003638 113.903358121 114.910634521 112.896081721 Cadmium Cd WLZRMCYVCSSEQC-UHFFFAOYSA-N +HMDB0003642 87.905614339 88.912890739 86.898337939 Strontium Sr PWYYWQHXAPXYMF-UHFFFAOYSA-N +HMDB0003671 114.10446507 115.11174147 113.09718867 2-Heptanone C7H14O CATSNJVOTSVZJV-UHFFFAOYSA-N +HMDB0003869 275.148120797 276.155397197 274.140844397 Epsilon-(gamma-Glutamyl)-lysine C11H21N3O5 JPKNLFVGUZRHOB-YUMQZZPRSA-N +HMDB0003876 320.23514489 321.24242129 319.22786849 15(S)-HETE C20H32O3 JSFATNQSLKRBCI-VAEKSGALSA-N +HMDB0003892 193.110278729 194.117555129 192.103002329 (S)-N-Methylsalsolinol C11H15NO2 RKMGOUZXGHZLBJ-ZETCQYMHSA-N +HMDB0003933 378.20155335 379.20882975 377.19427695 Pentosidine C17H26N6O4 AYEKKSTZQYEZPU-RYUDHWBXSA-N +HMDB0004063 197.105193351 198.112469751 196.097916951 Metanephrine C10H15NO3 JWJCTZKFYGDABJ-UHFFFAOYSA-N +HMDB0004080 347.282429433 348.289705833 346.275153033 Anandamide C22H37NO2 LGEQQWMQCRIYKG-DOFZRALJSA-N +HMDB0004085 298.28718046 299.29445686 297.27990406 "Tuberculostearic acid" C19H38O2 BEOUGZFCUMNGOU-UHFFFAOYSA-N +HMDB0004087 223.136099549 224.143375949 222.128823149 1-Benzyl-1,2,3,4-tetrahydroisoquinoline C16H17N YRYCIFUZSUMAAY-UHFFFAOYSA-N +HMDB0004118 120.903818044 121.911094444 119.896541644 Antimony Sb FAWGZAFXDJGWBB-UHFFFAOYSA-N +HMDB0004136 122.057908808 123.065185208 121.050632408 D-Threitol C4H10O4 UNXHWFMMPAWVPI-QWWZWVQMSA-N +HMDB0004138 196.966551609 197.973828009 195.959275209 Gold Au ZBKIUFWVEIBQRT-UHFFFAOYSA-N +HMDB0004142 137.905241273 138.912517673 136.897964873 Barium Ba XDFCIPNJCBUZJN-UHFFFAOYSA-N +HMDB0004143 180.947996346 181.955272746 179.940719946 Tantalum Ta WTKKCYNZRWIVKL-UHFFFAOYSA-N +HMDB0004207 275.148120797 276.155397197 274.140844397 Glutamyllysine C11H21N3O5 BBBXWRGITSUJPB-YUMQZZPRSA-N +HMDB0004225 173.080041233 174.087317633 172.072764833 2-Oxoarginine C6H11N3O3 ARBHXJXXVVHMET-UHFFFAOYSA-N +HMDB0004236 334.214409448 335.221685848 333.207133048 "Prostaglandin B2" C20H30O4 PRFXRIUZNKLRHM-RYPCXPIFSA-N +HMDB0004259 264.11100701 265.11828341 263.10373061 Acetyl-N-formyl-5-methoxykynurenamine C13H16N2O4 JYWNYMJKURVPFH-UHFFFAOYSA-N +HMDB0004264 320.23514489 321.24242129 319.22786849 "14,15-Epoxy-5,8,11-eicosatrienoic acid" C20H32O3 JBSCUHKPLGKXKH-ILYOTBPNSA-N +HMDB0004362 156.115029756 157.122306156 155.107753356 4-Hydroxynonenal C9H16O2 JVJFIQYAHPMBBX-FNORWQNLSA-N +HMDB0004620 216.122240398 217.129516798 215.114963998 N-a-Acetyl-L-arginine C8H16N4O3 SNEIUMQYRCDYCH-LURJTMIESA-N +HMDB0004628 207.97663585 208.98391225 206.96935945 Lead Pb RVPVRDXYQKGNMQ-UHFFFAOYSA-N +HMDB0004645 336.073969576 337.081245976 335.066693176 S-Nitrosoglutathione C10H16N4O7S HYHSBSXUHZOYLX-WDSKDSINSA-N +HMDB0004659 280.31300128 281.32027768 279.30572488 8-Isoprostane C20H40 UKVVPDHLUHAJNZ-UXHICEINSA-N +HMDB0004666 378.277009704 379.284286104 377.269733304 2-Arachidonylglycerol C23H38O4 RCRCTBLIHCHWDZ-DOFZRALJSA-N +HMDB0004667 296.23514489 297.24242129 295.22786849 "13S-hydroxyoctadecadienoic acid" C18H32O3 HNICUWMFWZBIFP-IRQZEAMPSA-N +HMDB0004669 294.219494826 295.226771226 293.212218426 9-OxoODE C18H30O3 LUZSWWYKKLTDHU-ZJHFMPGASA-N +HMDB0004670 296.23514489 297.24242129 295.22786849 "Alpha-dimorphecolic acid" C18H32O3 NPDSHTNEKLQQIJ-UINYOVNOSA-N +HMDB0004679 320.23514489 321.24242129 319.22786849 8-HETE C20H32O3 NLUNAYAEIJYXRB-VYOQERLCSA-N +HMDB0004682 320.23514489 321.24242129 319.22786849 11(R)-HETE C20H32O3 GCZRCCHPLVMMJE-RSPKXIRXSA-N +HMDB0004701 296.23514489 297.24242129 295.22786849 "9,10-Epoxyoctadecenoic acid" C18H32O3 FBUKMFOXMZRGRB-YFHOEESVSA-N +HMDB0004702 296.23514489 297.24242129 295.22786849 12,13-EpOME C18H32O3 CCPPLLJZDQAOHD-FLIBITNWSA-N +HMDB0004704 314.245709576 315.252985976 313.238433176 9,10-DHOME C18H34O4 XEBKSQSGNGRGDW-YFHOEESVSA-N +HMDB0004705 314.245709576 315.252985976 313.238433176 12,13-DHOME C18H34O4 CQSLTKIXAJTQGA-FLIBITNWSA-N +HMDB0004710 330.240624198 331.247900598 329.233347798 9,10,13-TriHOME C18H34O5 NTVFQBIHLSPEGQ-SYMVGPSASA-N +HMDB0004983 94.008850126 95.016126526 93.001573726 "Dimethyl sulfone" C2H6O2S HHVIBTZHLRERCL-UHFFFAOYSA-N +HMDB0004988 140.05857751 141.06585391 139.05130111 "Pi-Methylimidazoleacetic acid" C6H8N2O2 UJCGYTCAMOHYCG-UHFFFAOYSA-N +HMDB0005021 383.166747749 384.174024149 382.159471349 Quetiapine C21H25N3O2S URKOMYMAXPYINW-UHFFFAOYSA-N +HMDB0005199 179.094628665 180.101905065 178.087352265 (R)-Salsolinol C10H13NO2 IBRKLUSXDYATLG-UHFFFAOYSA-N +HMDB0005768 337.175004249 338.182280649 336.167727849 Kyotorphin C15H23N5O4 JXNRXNCCROJZFB-RYUDHWBXSA-N +HMDB0005949 7.016004049 8.023280449 6.008727649 Lithium Li HBBGRARXTFLTSG-UHFFFAOYSA-N +HMDB0005994 100.088815006 101.096091406 99.081538606 Hexanal C6H12O JARKCYVAAOWBJS-UHFFFAOYSA-N +HMDB0005998 320.23514489 321.24242129 319.22786849 "20-Hydroxyeicosatetraenoic acid" C20H32O3 NNDIXBJHNLFJJP-DTLRTWKJSA-N +HMDB0006059 366.204238692 367.211515092 365.196962292 "20-Carboxy-leukotriene B4" C20H30O6 SXWGPVJGNOLNHT-VFLUTPEKSA-N +HMDB0006088 180.063388116 181.070664516 179.056111716 scyllo-Inositol C6H12O6 CDAISMWEOUEBRE-CDRYSYESSA-N +HMDB0006111 320.23514489 321.24242129 319.22786849 12-HETE C20H32O3 ZNHVWPKMFKADKW-FYMOKONMSA-N +HMDB0006112 72.021129372 73.028405772 71.013852972 Malondialdehyde C3H4O2 WSMYVTOQOOLQHP-UHFFFAOYSA-N +HMDB0006119 402.349780716 403.357057116 401.342504316 7b-Hydroxycholesterol C27H46O2 OYXZMSRRJOYLLO-KGZHIOMZSA-N +HMDB0006478 86.073164942 87.080441342 85.065888542 Iso-Valeraldehyde C5H10O YGHRJJRRZDOVPD-UHFFFAOYSA-N +HMDB0006483 133.037507717 134.044784117 132.030231317 "D-Aspartic acid" C4H7NO4 CKLJMWTZIZZHCS-UWTATZPHSA-N +HMDB0006695 228.11100701 229.11828341 227.10373061 Prolylhydroxyproline C10H16N2O4 ONPXCLZMBSJLSP-CSMHCCOUSA-N +HMDB0006730 609.239454997 610.246731397 608.232178597 QYNAD C25H35N7O11 WKBAPRRMZYHPNB-BXBUPLCLSA-N +HMDB0010169 703.575399814 704.582676214 702.568123414 SM(d18:1/16:0) C39H80N2O6P RWKUXQNLWDTSLO-GWQJGLRPSA-O +HMDB0010210 318.219494826 319.226771226 317.212218426 15-KETE C20H30O3 YGJTUEISKATQSM-USWFWKISSA-N +HMDB0010222 320.23514489 321.24242129 319.22786849 9-HETE C20H32O3 KATOYYZUTNAWSA-DLJQHUEDSA-N +HMDB0010223 296.23514489 297.24242129 295.22786849 9-HODE C18H32O3 NPDSHTNEKLQQIJ-SIGMCMEVSA-N +HMDB0010384 523.363789599 524.371065999 522.356513199 LysoPC(18:0) C26H54NO7P IHNKQIMGVNPMTC-RUZDIDTESA-N +HMDB0010395 543.332489471 544.339765871 542.325213071 LysoPC(20:4(5Z,8Z,11Z,14Z)) C28H50NO7P LAXQYRRMGGEGOH-JXRLJXCWSA-N +HMDB0010396 543.332489471 544.339765871 542.325213071 LysoPC(20:4(8Z,11Z,14Z,17Z)) C28H50NO7P GOMVPVRDBLLHQC-VEJNOCSESA-N +HMDB0010409 320.23514489 321.24242129 319.22786849 11,12-EpETrE C20H32O3 DXOYQVHGIODESM-IQCOFVSKSA-N +HMDB0011134 320.23514489 321.24242129 319.22786849 5-HETE C20H32O3 KGIJOOYOSFUGPC-JGKLHWIESA-N +HMDB0011620 125.929815379 126.937091779 124.922538979 Arsenite AsH3O3 GCPXMJHSNVMWNM-UHFFFAOYSA-N +HMDB0011697 815.700600326 816.707876726 814.693323926 SM(d18:1/24:0) C47H96N2O6P QEDPUVGSSDPBMD-XTAIVQBESA-O +HMDB0011698 843.731900454 844.739176854 842.724624054 SM(d18:1/26:0) C49H100N2O6P VRAWSAPVSSLIRI-MVUJCARGSA-O +HMDB0011738 275.111735291 276.119011691 274.104458891 N2-gamma-Glutamylglutamine C10H17N3O6 JBFYFLXEJFQWMU-WDSKDSINSA-N +HMDB0012100 728.583224846 729.590501246 727.575948446 SM(d18:1/18:1(11Z)) C41H81N2O6P FZMKZVXNTLAHFD-RTEXEOPXSA-N +HMDB0012101 728.583224846 729.590501246 727.575948446 SM(d18:1/18:1(9Z)) C41H81N2O6P NBEADXWAAWCCDG-QDDWGVBQSA-N +HMDB0012107 812.67712523 813.68440163 811.66984883 SM(d18:1/24:1(15Z)) C47H93N2O6P WKZHECFHXLTOLJ-QYKFWSDSSA-N +HMDB0012895 1027.400405861 1028.407682261 1026.393129461 "Arginine vasopressin 1-8" C44H61N13O12S2 SXYIOPJBWYQZRQ-VMPYSSHJSA-N +HMDB0012935 1474.912295913 1475.919572313 1473.905019513 "Dynorphin A" C69H116N23O13 ZIHYAUCIMOSJIH-QGLXRRFISA-O +HMDB0013072 1650.73230468 1651.73958108 1649.72502828 Somatostatin C77H106N18O19S2 KTEPWBJBSMMZIC-LJTSQLRWSA-N +HMDB0013122 507.368874977 508.376151377 506.361598577 LysoPC(P-18:0) C26H54NO6P WBOMIOWRFSPZMC-AYICAFKVSA-N +HMDB0013125 233.126322723 234.133599123 232.119046323 Hydroxypropionylcarnitine C10H19NO5 QJGJXKFJFRSERW-QMMMGPOBSA-N +HMDB0013128 246.169984677 247.177261077 245.162708277 Valerylcarnitine C12H24NO4 VSNFQQXVMPSASB-SNVBAGLBSA-O +HMDB0013461 840.708425358 841.715701758 839.701148958 SM(d18:1/26:1(17Z)) C49H97N2O6P YXEXWUZHFGYOHJ-UOJCCMJYSA-N +HMDB0013462 688.515539212 689.522815612 687.508262812 SM(d18:0/14:1(9Z)(OH)) C37H73N2O7P ZNHNJXWKKQKMBU-POWUNZFVSA-N +HMDB0013463 716.54683934 717.55411574 715.53956294 SM(d18:0/16:1(9Z)(OH)) C39H77N2O7P LPHMSPONPQCKTL-FKUNDBCPSA-N +HMDB0013464 702.567574782 703.574851182 701.560298382 SM(d18:0/16:1(9Z)) C39H79N2O6P CGVOQSQIYSUXAT-PPLFXBRHSA-N +HMDB0013465 754.59887491 755.60615131 753.59159851 SM(d18:0/20:2(11Z,14Z)) C43H83N2O6P YVTVVJRJLRHYSJ-XJRFMCMQSA-N +HMDB0013466 800.640739724 801.648016124 799.633463324 SM(d18:0/22:1(13Z)(OH)) C45H89N2O7P ZUSFLIGNJFDBRL-FYGIKZFGSA-N +HMDB0013467 798.62508966 799.63236606 797.61781326 SM(d18:0/22:2(13Z,16Z)(OH)) C45H87N2O7P DRKCMBAZIYFIGX-ZWLRGCNFSA-N +HMDB0013469 828.672039852 829.679316252 827.664763452 SM(d18:0/24:1(15Z)(OH)) C47H93N2O7P IOOMOQUTKQGEFH-BSZNTFKYSA-N +HMDB0013667 88.905847902 89.913124302 87.898571502 Yttrium Y VWQVUPCCIRVNHF-UHFFFAOYSA-N +HMDB0013668 101.904349503 102.911625903 100.897073103 Ruthenium Ru KJTLSVCANCCWHF-UHFFFAOYSA-N +HMDB0013669 132.90544687 133.91272327 131.89817047 Cesium Cs TVFDJXOCXUVLDH-UHFFFAOYSA-N +HMDB0013670 105.903483087 106.910759487 104.896206687 Palladium Pd KDLHZDBZIXYQEI-UHFFFAOYSA-N +HMDB0013671 194.964774449 195.972050849 193.957498049 Platinum Pt BASFCYQUMIYNBI-UHFFFAOYSA-N +HMDB0013672 139.905434035 140.912710435 138.898157635 Cerium Ce GWXLDORMOJMVQZ-UHFFFAOYSA-N +HMDB0015532 63.929146578 64.936422978 62.921870178 Zinc Zn HCHKCACWOHOZIP-UHFFFAOYSA-N +HMDB0029147 275.111735279 276.119011679 274.104458879 N-gamma-Glutamylglutamine C10H17N3O6 FCWNOQOVMGNKNG-WDSKDSINSA-N +HMDB0059655 148.037173366 149.044449766 147.029896966 2-Hydroxyglutarate C5H8O5 HWXBTNAVRSUOJR-UHFFFAOYSA-N
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/banks/CSF_v2019Jan17/CSF_v2019Jan17.tabular Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,451 @@ +HMDB_ID MzBank [M+H]+ [M-H]- MetName ChemFormula INChIkey +HMDB0000001 169.085126611 170.092403011 168.077850211 1-Methylhistidine C7H11N3O2 BRMWTNUJHUMWMS-LURJTMIESA-N +HMDB0000005 102.031694058 103.038970458 101.024417658 "2-Ketobutyric acid" C4H6O3 TYEYBOSBBBHJIV-UHFFFAOYSA-N +HMDB0000008 104.047344122 105.054620522 103.040067722 "2-Hydroxybutyric acid" C4H8O3 AFENDNXGAFYKQO-UHFFFAOYSA-N +HMDB0000011 104.047344122 105.054620522 103.040067722 "(R)-3-Hydroxybutyric acid" C4H8O3 WHBMMWSBFZVSSR-GSVOUGTGSA-N +HMDB0000012 228.074621504 229.081897904 227.067345104 Deoxyuridine C9H12N2O5 MXHRCPNRJAMMIM-SHYZEUOFSA-N +HMDB0000017 183.053157781 184.060434181 182.045881381 "4-Pyridoxic acid" C8H9NO4 HXACOUQIXZGNBF-UHFFFAOYSA-N +HMDB0000019 116.047344122 117.054620522 115.040067722 "alpha-Ketoisovaleric acid" C5H8O3 QHKABHOOEWYVLI-UHFFFAOYSA-N +HMDB0000020 152.047344122 153.054620522 151.040067722 "p-Hydroxyphenylacetic acid" C8H8O3 XQXPVVBIMDBYFF-UHFFFAOYSA-N +HMDB0000022 167.094628665 168.101905065 166.087352265 3-Methoxytyramine C9H13NO2 DIVQKHQLANKJQO-UHFFFAOYSA-N +HMDB0000023 104.047344122 105.054620522 103.040067722 "(S)-3-Hydroxyisobutyric acid" C4H8O3 DBXBTMSZEOQQDU-VKHMYHEASA-N +HMDB0000026 132.053492132 133.060768532 131.046215732 "Ureidopropionic acid" C4H8N2O3 JSJWCHRYRHKBBW-UHFFFAOYSA-N +HMDB0000027 241.117489371 242.124765771 240.110212971 Tetrahydrobiopterin C9H15N5O3 FNKQXYHWGSIFBK-UHFFFAOYSA-N +HMDB0000030 244.088163078 245.095439478 243.080886678 Biotin C10H16N2O3S YBJHBAHKTGYVGT-ZKWXMUAHSA-N +HMDB0000031 290.224580204 291.231856604 289.217303804 Androsterone C19H30O2 QGXBDMJGAMFCBF-HLUDHZFRSA-N +HMDB0000032 384.33921603 385.34649243 383.33193963 7-Dehydrocholesterol C27H44O UCTLRSWJYQTBFZ-DDPQNLDTSA-N +HMDB0000034 135.054495185 136.061771585 134.047218785 Adenine C5H5N5 GFFGJBXGBJISGV-UHFFFAOYSA-N +HMDB0000038 239.101839307 240.109115707 238.094562907 Dihydrobiopterin C9H13N5O3 FEMXZDUTFRTWPE-UHFFFAOYSA-N +HMDB0000039 88.0524295 89.0597059 87.0451531 "Butyric acid" C4H8O2 FERIUCNNQQJTOY-UHFFFAOYSA-N +HMDB0000042 60.021129372 61.028405772 59.013852972 "Acetic acid" C2H4O2 QTBSBXVTEAMEQO-UHFFFAOYSA-N +HMDB0000044 176.032087988 177.039364388 175.024811588 "Ascorbic acid" C6H8O6 CIWBSHSKHKDKBQ-JLAZNSOCSA-N +HMDB0000045 347.063084339 348.070360739 346.055807939 "Adenosine monophosphate" C10H14N5O7P UDMBCSSLTHHNCD-KQYNXXCUSA-N +HMDB0000050 267.096753929 268.104030329 266.089477529 Adenosine C10H13N5O4 OIRDTQYFTABQOQ-KQYNXXCUSA-N +HMDB0000051 17.026549101 18.033825501 16.019272701 Ammonia H3N QGZKDVFQNNGYKY-UHFFFAOYSA-N +HMDB0000053 286.193280076 287.200556476 285.186003676 Androstenedione C19H26O2 AEMFNILZOJDQLW-QAGGRKNESA-N +HMDB0000054 584.263484904 585.270761304 583.256208504 Bilirubin C33H36N4O6 BPYKTIZUTYGOLE-IFADSCNNSA-N +HMDB0000056 89.047678473 90.054954873 88.040402073 beta-Alanine C3H7NO2 UCMIRNVEIXFBKS-UHFFFAOYSA-N +HMDB0000058 329.052519653 330.059796053 328.045243253 "Cyclic AMP" C10H12N5O6P IVOMOUWHDPKRLL-KQYNXXCUSA-N +HMDB0000060 102.031694058 103.038970458 101.024417658 "Acetoacetic acid" C4H6O3 WDJHALXBUFZDSR-UHFFFAOYSA-N +HMDB0000062 161.105193351 162.112469751 160.097916951 L-Carnitine C7H15NO3 PHIQHXFUZVPYII-ZCFIWIBFSA-N +HMDB0000063 362.20932407 363.21660047 361.20204767 Cortisol C21H30O5 JYGXADMDTFJGBT-VWUMJDOOSA-N +HMDB0000064 131.069476547 132.076752947 130.062200147 Creatine C4H9N3O2 CVSVTCORWBXHQV-UHFFFAOYSA-N +HMDB0000067 386.354866094 387.362142494 385.347589694 Cholesterol C27H46O HVYWMOMLDIMFJA-DPAQBDIFSA-N +HMDB0000068 183.089543287 184.096819687 182.082266887 Epinephrine C9H13NO3 UCTWMZQNUQWSLP-VIFPVBQESA-N +HMDB0000070 129.078978601 130.086255001 128.071702201 "Pipecolic acid" C6H11NO2 HXEACLLIILLPRG-UHFFFAOYSA-N +HMDB0000072 174.016437924 175.023714324 173.009161524 "cis-Aconitic acid" C6H6O6 GTZCVFVGUGFEME-IWQZZHSRSA-N +HMDB0000073 153.078978601 154.086255001 152.071702201 Dopamine C8H11NO2 VYFYYTLLBUKUHU-UHFFFAOYSA-N +HMDB0000076 114.042927446 115.050203846 113.035651046 Dihydrouracil C4H6N2O2 OIVLITBTBDPEFK-UHFFFAOYSA-N +HMDB0000077 288.20893014 289.21620654 287.20165374 Dehydroepiandrosterone C19H28O2 FMGSKLZLMKYGDP-USOAJAOKSA-N +HMDB0000078 178.041212886 179.048489286 177.033936486 Cysteinylglycine C5H10N2O3S ZUKPVRWZDMRIEO-VKHMYHEASA-N +HMDB0000079 128.05857751 129.06585391 127.05130111 Dihydrothymine C5H8N2O2 NBAKTGXDIBVZOO-UHFFFAOYSA-N +HMDB0000086 257.102823889 258.110100289 256.095547489 Glycerophosphocholine C8H20NO6P SUHOQUVVVLNYQR-QMMMGPOBSA-N +HMDB0000087 45.057849229 46.065125629 44.050572829 Dimethylamine C2H7N ROSDSFDQCJNGOL-UHFFFAOYSA-N +HMDB0000089 243.085520541 244.092796941 242.078244141 Cytidine C9H13N3O5 UHDGCWIWMRVCDJ-XVFCMESISA-N +HMDB0000094 192.02700261 193.03427901 191.01972621 "Citric acid" C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N +HMDB0000097 104.107539075 105.114815475 103.100262675 Choline C5H14NO OEYIOHPDSNJKLS-UHFFFAOYSA-N +HMDB0000099 222.067427636 223.074704036 221.060151236 L-Cystathionine C7H14N2O4S ILRYLPWNYFXEMH-WHFBIAKZSA-N +HMDB0000107 182.07903818 183.08631458 181.07176178 Galactitol C6H14O6 FBPFZTCFMRRESA-GUCUJZIJSA-N +HMDB0000108 46.041864814 47.049141214 45.034588414 Ethanol C2H6O LFQSCWFLJHTTHZ-UHFFFAOYSA-N +HMDB0000112 103.063328537 104.070604937 102.056052137 "gamma-Aminobutyric acid" C4H9NO2 BTCSSZJGUNDROE-UHFFFAOYSA-N +HMDB0000115 76.016043994 77.023320394 75.008767594 "Glycolic acid" C2H4O3 AEMRFAOFKBGASW-UHFFFAOYSA-N +HMDB0000118 182.057908808 183.065185208 181.050632408 "Homovanillic acid" C9H10O4 QRMZSPFSDQBLIX-UHFFFAOYSA-N +HMDB0000119 74.00039393 75.00767033 72.99311753 "Glyoxylic acid" C2H2O3 HHLFWLYXYJOTON-UHFFFAOYSA-N +HMDB0000121 441.139681375 442.146957775 440.132404975 "Folic acid" C19H19N7O6 OVBPIULPVIDEAO-LBPRGKRZSA-N +HMDB0000122 180.063388116 181.070664516 179.056111716 D-Glucose C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N +HMDB0000123 75.032028409 76.039304809 74.024752009 Glycine C2H5NO2 DHMQDGOQFOQNFH-UHFFFAOYSA-N +HMDB0000125 307.083805981 308.091082381 306.076529581 Glutathione C10H17N3O6S RWSXRVCMGQZWBV-WDSKDSINSA-N +HMDB0000128 117.053826483 118.061102883 116.046550083 "Guanidoacetic acid" C3H7N3O2 BPMFZUMJYQTVII-UHFFFAOYSA-N +HMDB0000131 92.047344122 93.054620522 91.040067722 Glycerol C3H8O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N +HMDB0000134 116.010958616 117.018235016 115.003682216 "Fumaric acid" C4H4O4 VZCYOOQTPOCHFL-OWOJBTEDSA-N +HMDB0000139 106.02660868 107.03388508 105.01933228 "Glyceric acid" C3H6O4 RBNPOMFGQQGHHO-UWTATZPHSA-N +HMDB0000142 46.005479308 47.012755708 44.998202908 "Formic acid" CH2O2 BDAGIHXWWSANSR-UHFFFAOYSA-N +HMDB0000143 180.063388116 181.070664516 179.056111716 D-Galactose C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N +HMDB0000148 147.053157781 148.060434181 146.045881381 "L-Glutamic acid" C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N +HMDB0000149 61.052763851 62.060040251 60.045487451 Ethanolamine C2H7NO HZAXFHJVJLSVMW-UHFFFAOYSA-N +HMDB0000151 272.177630012 273.184906412 271.170353612 Estradiol C18H24O2 VOXZDWNPVJITMN-ZBRFXRBCSA-N +HMDB0000156 134.021523302 135.028799702 133.014246902 "L-Malic acid" C4H6O5 BJEPYKJPYRNKOW-REOHCLBHSA-N +HMDB0000157 136.03851077 137.04578717 135.03123437 Hypoxanthine C5H4N4O FDGQSTZJBFJUBT-UHFFFAOYSA-N +HMDB0000158 181.073893223 182.081169623 180.066616823 L-Tyrosine C9H11NO3 OUYCCCASQSFEME-QMMMGPOBSA-N +HMDB0000159 165.078978601 166.086255001 164.071702201 L-Phenylalanine C9H11NO2 COLNVLDHVKWLRT-QMMMGPOBSA-N +HMDB0000161 89.047678473 90.054954873 88.040402073 L-Alanine C3H7NO2 QNAYBMKLOCPYGJ-REOHCLBHSA-N +HMDB0000162 115.063328537 116.070604937 114.056052137 L-Proline C5H9NO2 ONIBWKKTOPOVIA-BYPYZUCNSA-N +HMDB0000167 119.058243159 120.065519559 118.050966759 L-Threonine C4H9NO3 AYFVYJQAPQTCCC-GBXIJSLDSA-N +HMDB0000168 132.053492132 133.060768532 131.046215732 L-Asparagine C4H8N2O3 DCXYFEDJOCDNAF-REOHCLBHSA-N +HMDB0000169 180.063388116 181.070664516 179.056111716 D-Mannose C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N +HMDB0000172 131.094628665 132.101905065 130.087352265 L-Isoleucine C6H13NO2 AGPKZVBTJJNPAG-WHFBIAKZSA-N +HMDB0000175 348.047099924 349.054376324 347.039823524 "Inosinic acid" C10H13N4O8P GRSZFWQUAKGDAV-KQYNXXCUSA-N +HMDB0000177 155.069476547 156.076752947 154.062200147 L-Histidine C6H9N3O2 HNDVDQJCIGZPNO-YFKPBYRVSA-N +HMDB0000181 197.068807845 198.076084245 196.061531445 L-Dopa C9H11NO4 WTDRDQBEARUVNC-LURJTMIESA-N +HMDB0000182 146.105527702 147.112804102 145.098251302 L-Lysine C6H14N2O2 KDXKERNSBIXSRK-YFKPBYRVSA-N +HMDB0000187 105.042593095 106.049869495 104.035316695 L-Serine C3H7NO3 MTCFGRXMJLQNBG-REOHCLBHSA-N +HMDB0000190 90.031694058 91.038970458 89.024417658 "L-Lactic acid" C3H6O3 JVTAAEKCZFNVCJ-REOHCLBHSA-N +HMDB0000191 133.037507717 134.044784117 132.030231317 "L-Aspartic acid" C4H7NO4 CKLJMWTZIZZHCS-REOHCLBHSA-N +HMDB0000192 240.023848262 241.031124662 239.016571862 L-Cystine C6H12N2O4S2 LEVWYRKDKASIDU-IMJSIDKUSA-N +HMDB0000193 192.02700261 193.03427901 191.01972621 "Isocitric acid" C6H8O7 ODBLHEXUDAPZAU-UHFFFAOYSA-N +HMDB0000195 268.080769514 269.088045914 267.073493114 Inosine C10H12N4O5 UGQMRVRMYYASKQ-KQYNXXCUSA-N +HMDB0000197 175.063328537 176.070604937 174.056052137 "Indoleacetic acid" C10H9NO2 SEOVTRFCIGRIMH-UHFFFAOYSA-N +HMDB0000201 203.115758031 204.123034431 202.108481631 L-Acetylcarnitine C9H17NO4 RDHQFKQIGNGIED-MRVPVSSYSA-N +HMDB0000202 118.02660868 119.03388508 117.01933228 "Methylmalonic acid" C4H6O4 ZIYVHBGGAOATLY-UHFFFAOYSA-N +HMDB0000207 282.255880332 283.263156732 281.248603932 "Oleic acid" C18H34O2 ZQPPMHVWECSIRJ-KTKRTIGZSA-N +HMDB0000208 146.021523302 147.028799702 145.014246902 "Oxoglutaric acid" C5H6O5 KPGXRSRHYNQIFN-UHFFFAOYSA-N +HMDB0000209 136.0524295 137.0597059 135.0451531 "Phenylacetic acid" C8H8O2 WLJVXDMOQOGPHL-UHFFFAOYSA-N +HMDB0000210 219.110672659 220.117949059 218.103396259 "Pantothenic acid" C9H17NO5 GHOKWGTUZJEAQD-ZETCQYMHSA-N +HMDB0000211 180.063388116 181.070664516 179.056111716 myo-Inositol C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N +HMDB0000214 132.089877638 133.097154038 131.082601238 Ornithine C5H12N2O2 AHLPHDHHMVZTML-BYPYZUCNSA-N +HMDB0000216 169.073893223 170.081169623 168.066616823 Norepinephrine C8H11NO3 SFLSHLFXELFNJZ-QMMMGPOBSA-N +HMDB0000220 256.240230268 257.247506668 255.232953868 "Palmitic acid" C16H32O2 IPCSVZSSVZVIGE-UHFFFAOYSA-N +HMDB0000223 132.005873238 133.013149638 130.998596838 "Oxalacetic acid" C4H4O5 KHPXUQMNIQBQEV-UHFFFAOYSA-N +HMDB0000224 141.019094261 142.026370661 140.011817861 O-Phosphoethanolamine C2H8NO4P SUHOOTKUPISOBE-UHFFFAOYSA-N +HMDB0000230 309.105981211 310.113257611 308.098704811 "N-Acetylneuraminic acid" C11H19NO9 SQVRNKJHWKZAKO-PFQGKNLYSA-N +HMDB0000232 167.021857653 168.029134053 166.014581253 "Quinolinic acid" C7H5NO4 GJAWHXHKYYXBSV-UHFFFAOYSA-N +HMDB0000234 288.20893014 289.21620654 287.20165374 Testosterone C19H28O2 MUMGGOZAMZWBJJ-DYKIIFRCSA-N +HMDB0000235 265.112306876 266.119583276 264.105030476 Thiamine C12H17N4OS JZRWCGZRTZMZEH-UHFFFAOYSA-N +HMDB0000237 74.036779436 75.044055836 73.029503036 "Propionic acid" C3H6O2 XBDQKXXYIPTUBI-UHFFFAOYSA-N +HMDB0000238 237.086189243 238.093465643 236.078912843 Sepiapterin C9H11N5O3 VPVOXUSPXFPWBN-VKHMYHEASA-N +HMDB0000239 169.073893223 170.081169623 168.066616823 Pyridoxine C8H11NO3 LXNHXLLTXMVWPM-UHFFFAOYSA-N +HMDB0000243 88.016043994 89.023320394 87.008767594 "Pyruvic acid" C3H4O3 LCTONWCANYUPML-UHFFFAOYSA-N +HMDB0000244 376.138284392 377.145560792 375.131007992 Riboflavin C17H20N4O6 AUNGANRZJHBGPY-SCRDCRAPSA-N +HMDB0000247 182.07903818 183.08631458 181.07176178 Sorbitol C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N +HMDB0000251 125.014663785 126.021940185 124.007387385 Taurine C2H7NO3S XOAAWQZATWQOTB-UHFFFAOYSA-N +HMDB0000253 316.240230268 317.247506668 315.232953868 Pregnenolone C21H32O2 ORNBQBCIOKFOEO-QGVNFLHTSA-N +HMDB0000254 118.02660868 119.03388508 117.01933228 "Succinic acid" C4H6O4 KDYFGRWQOYBRFD-UHFFFAOYSA-N +HMDB0000259 176.094963016 177.102239416 175.087686616 Serotonin C10H12N2O QZAYGJVTTNCVMB-UHFFFAOYSA-N +HMDB0000262 126.042927446 127.050203846 125.035651046 Thymine C5H6N2O2 RWQNBRDOKXIBIV-UHFFFAOYSA-N +HMDB0000267 129.042593095 130.049869495 128.035316695 "Pyroglutamic acid" C5H7NO3 ODHCTXKNWHHXJC-VKHMYHEASA-N +HMDB0000271 89.047678473 90.054954873 88.040402073 Sarcosine C3H7NO2 FSYKKLYZXJSNPZ-UHFFFAOYSA-N +HMDB0000272 185.008923505 186.016199905 184.001647105 Phosphoserine C3H8NO6P BZQFBWGGLXLEPQ-REOHCLBHSA-N +HMDB0000273 242.090271568 243.097547968 241.082995168 Thymidine C10H14N2O5 IQFYYKKMVGJFEH-XLPZGREQSA-N +HMDB0000283 150.05282343 151.06009983 149.04554703 D-Ribose C5H10O5 HMFHBZSHGGEWLO-SOOFDHNKSA-N +HMDB0000289 168.028340014 169.035616414 167.021063614 "Uric acid" C5H4N4O3 LEHOTFFKMJEONL-UHFFFAOYSA-N +HMDB0000292 152.033425392 153.040701792 151.026148992 Xanthine C5H4N4O2 LRFVTYWOQMYALW-UHFFFAOYSA-N +HMDB0000294 60.03236276 61.03963916 59.02508636 Urea CH4N2O XSQUKJJJFZCRTK-UHFFFAOYSA-N +HMDB0000296 244.069536126 245.076812526 243.062259726 Uridine C9H12N2O6 DRTQHJPVMGBUCF-XVFCMESISA-N +HMDB0000300 112.027277382 113.034553782 111.020000982 Uracil C4H4N2O2 ISAKRJDGNUQOIC-UHFFFAOYSA-N +HMDB0000317 132.07864425 133.08592065 131.07136785 "2-Hydroxy-3-methylpentanoic acid" C6H12O3 RILPIWOPNGRASR-RFZPGFLSSA-N +HMDB0000318 170.057908808 171.065185208 169.050632408 3,4-Dihydroxyphenylglycol C8H10O4 MTVWFVDWRVYDOR-UHFFFAOYSA-N +HMDB0000336 104.047344122 105.054620522 103.040067722 "(R)-3-Hydroxyisobutyric acid" C4H8O3 DBXBTMSZEOQQDU-GSVOUGTGSA-N +HMDB0000337 120.042258744 121.049535144 119.034982344 "(S)-3,4-Dihydroxybutyric acid" C4H8O4 DZAIOXUZHHTJKN-UHFFFAOYSA-N +HMDB0000357 104.047344122 105.054620522 103.040067722 "3-Hydroxybutyric acid" C4H8O3 WHBMMWSBFZVSSR-UHFFFAOYSA-N +HMDB0000360 120.042258744 121.049535144 119.034982344 "2,4-Dihydroxybutanoic acid" C4H8O4 UFYGCFHQAXXBCF-UHFFFAOYSA-N +HMDB0000379 206.042652674 207.049929074 205.035376274 "2-Methylcitric acid" C7H10O7 YNOXCRMFGMSKIJ-UHFFFAOYSA-N +HMDB0000407 118.062994186 119.070270586 117.055717786 "2-Hydroxy-3-methylbutyric acid" C5H10O3 NGEWQZIDQIYUNV-UHFFFAOYSA-N +HMDB0000428 148.037173366 149.044449766 147.029896966 "3-Hydroxyglutaric acid" C5H8O5 ZQHYXNSQOIDNTL-UHFFFAOYSA-N +HMDB0000440 152.047344122 153.054620522 151.040067722 "3-Hydroxyphenylacetic acid" C8H8O3 FVMDYYGIDFPZAX-UHFFFAOYSA-N +HMDB0000448 146.057908808 147.065185208 145.050632408 "Adipic acid" C6H10O4 WNLRTRBMVRJNCN-UHFFFAOYSA-N +HMDB0000450 162.100442324 163.107718724 161.093165924 5-Hydroxylysine C6H14N2O3 YSMODUONRAFBET-UHNVWZDZSA-N +HMDB0000452 103.063328537 104.070604937 102.056052137 "L-alpha-Aminobutyric acid" C4H9NO2 QWCKQJZIFLGMSD-VKHMYHEASA-N +HMDB0000462 158.043990078 159.051266478 157.036713678 Allantoin C4H6N4O3 POJWUDADGALRAB-UHFFFAOYSA-N +HMDB0000464 39.962591155 40.969867555 38.955314755 Calcium Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N +HMDB0000468 237.086189243 238.093465643 236.078912843 Biopterin C9H11N5O3 LHQIJBMDNUYRAM-DZSWIPIPSA-N +HMDB0000472 220.08479226 221.09206866 219.07751586 5-Hydroxy-L-tryptophan C11H12N2O3 LDCYZAJDBXYCGN-VIFPVBQESA-N +HMDB0000479 169.085126611 170.092403011 168.077850211 3-Methylhistidine C7H11N3O2 JDHILDINMRGULE-LURJTMIESA-N +HMDB0000482 144.115029756 145.122306156 143.107753356 "Caprylic acid" C8H16O2 WWZKQHOCKIZLMA-UHFFFAOYSA-N +HMDB0000491 130.062994186 131.070270586 129.055717786 "3-Methyl-2-oxovaleric acid" C6H10O3 JVQYSWDUAOAHFM-UHFFFAOYSA-N +HMDB0000492 34.968852707 35.976129107 33.961576307 "Chloride ion" Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M +HMDB0000500 138.031694053 139.038970453 137.024417653 "4-Hydroxybenzoic acid" C7H6O3 FJKROLUGYXJWQN-UHFFFAOYSA-N +HMDB0000501 400.334130652 401.341407052 399.326854252 7-Ketocholesterol C27H44O2 YIKKMWSQVKJCOP-QJFKPLHKSA-N +HMDB0000508 152.068473494 153.075749894 151.061197094 Ribitol C5H12O5 HEBKCHPVOIAQTA-ZXFHETKHSA-N +HMDB0000517 174.111675712 175.118952112 173.104399312 L-Arginine C6H14N4O2 ODKSFYDXXFIFQN-BYPYZUCNSA-N +HMDB0000522 144.042258744 145.049535144 143.034982344 "3-Methylglutaconic acid" C6H8O4 WKRBKYFIJPGYQC-DUXPYHPUSA-N +HMDB0000531 118.062994186 119.070270586 117.055717786 "3-Hydroxyvaleric acid" C5H10O3 REKYPYSUBKSCAT-UHFFFAOYSA-N +HMDB0000535 116.083729628 117.091006028 115.076453228 "Caproic acid" C6H12O2 FUZZWVXGSFPDMH-UHFFFAOYSA-N +HMDB0000538 506.995745159 508.003021559 505.988468759 "Adenosine triphosphate" C10H16N5O13P3 ZKHQWZAMYRWXGA-KQYNXXCUSA-N +HMDB0000547 23.985041898 24.992318298 22.977765498 Magnesium Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N +HMDB0000557 131.094628665 132.101905065 130.087352265 L-Alloisoleucine C6H13NO2 AGPKZVBTJJNPAG-UHNVWZDZSA-N +HMDB0000562 113.058911861 114.066188261 112.051635461 Creatinine C4H7N3O DDRJAANPRJIHGJ-UHFFFAOYSA-N +HMDB0000568 152.068473494 153.075749894 151.061197094 D-Arabitol C5H12O5 HEBKCHPVOIAQTA-QWWZWVQMSA-N +HMDB0000574 121.019749163 122.027025563 120.012472763 L-Cysteine C3H7NO2S XUJNEKJLAYXESH-REOHCLBHSA-N +HMDB0000586 38.963706861 39.970983261 37.956430461 Potassium K NPYPAHLBTDXSSS-UHFFFAOYSA-N +HMDB0000588 22.989769675 23.997046075 21.982493275 Sodium Na FKNQFGJONOIPTF-UHFFFAOYSA-N +HMDB0000595 62.00039393 63.00767033 60.99311753 "Hydrogen carbonate" CH2O3 BVKZGUZCCUSVTD-UHFFFAOYSA-N +HMDB0000599 51.940511904 52.947788304 50.933235504 Chromium Cr BFGKITSFLPAWGI-UHFFFAOYSA-N +HMDB0000606 148.037173366 149.044449766 147.029896966 "D-2-Hydroxyglutaric acid" C5H8O5 HWXBTNAVRSUOJR-GSVOUGTGSA-N +HMDB0000607 1355.575230332 1356.582506732 1354.567953932 Cyanocobalamin C63H89CoN14O14P SEKGMJVHSBBHRD-WZHZPDAFSA-M +HMDB0000608 58.933200194 59.940476594 57.925923794 Cobalt Co XLJKHNWPARRRJB-UHFFFAOYSA-N +HMDB0000613 136.037173366 137.044449766 135.029896966 "Erythronic acid" C4H8O5 JPIJQSOTBSSVTP-PWNYCUMCSA-N +HMDB0000622 132.042258744 133.049535144 131.034982344 "Ethylmalonic acid" C5H8O4 UKFXDFUAPNAMPJ-UHFFFAOYSA-N +HMDB0000638 200.177630012 201.184906412 199.170353612 "Dodecanoic acid" C12H24O2 POULHZVOKOAJMA-UHFFFAOYSA-N +HMDB0000641 146.069142196 147.076418596 145.061865796 L-Glutamine C5H10N2O3 ZDXPYRJPNDTMRX-VKHMYHEASA-N +HMDB0000646 150.05282343 151.06009983 149.04554703 L-Arabinose C5H10O5 SRBFZHDQGSBBOR-HWQSCIPKSA-N +HMDB0000657 62.929601079 63.936877479 61.922324679 Copper Cu JPVYNHNXODAKFH-UHFFFAOYSA-N +HMDB0000660 180.063388116 181.070664516 179.056111716 D-Fructose C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N +HMDB0000661 132.042258744 133.049535144 131.034982344 "Glutaric acid" C5H8O4 JFCQEDHGNNZCLN-UHFFFAOYSA-N +HMDB0000670 188.127325776 189.134602176 187.120049376 Homo-L-arginine C7H16N4O2 QUOGESRFPZDMMT-YFKPBYRVSA-N +HMDB0000673 280.240230268 281.247506668 279.232953868 "Linoleic acid" C18H32O2 OYHQOLUKZRVURQ-HZJYTTRNSA-N +HMDB0000675 253.80893684 254.81621324 252.80166044 Iodine I2 PNDPGZBMCMUPRI-UHFFFAOYSA-N +HMDB0000676 268.05514839 269.06242479 267.04787199 L-Homocystine C8H16N2O4S2 ZTVZLYBCZNMWCF-ZBHICJROSA-N +HMDB0000684 208.08479226 209.09206866 207.07751586 L-Kynurenine C10H12N2O3 YGPSJZOEDVAXAB-QMMMGPOBSA-N +HMDB0000687 131.094628665 132.101905065 130.087352265 L-Leucine C6H13NO2 ROHFNLRQFUQHCH-YFKPBYRVSA-N +HMDB0000691 104.010958616 105.018235016 103.003682216 "Malonic acid" C3H4O4 OFOBLEOULBTSOW-UHFFFAOYSA-N +HMDB0000692 55.934942133 56.942218533 54.927665733 Fe2+ Fe CWYNVVGOOAEACU-UHFFFAOYSA-N +HMDB0000694 148.037173366 149.044449766 147.029896966 "L-2-Hydroxyglutaric acid" C5H8O5 HWXBTNAVRSUOJR-VKHMYHEASA-N +HMDB0000695 130.062994186 131.070270586 129.055717786 Ketoleucine C6H10O3 BKAJNAXTPSGJCU-UHFFFAOYSA-N +HMDB0000696 149.051049291 150.058325691 148.043772891 L-Methionine C5H11NO2S FFEARJCKVFRZRR-BYPYZUCNSA-N +HMDB0000700 90.031694058 91.038970458 89.024417658 "Hydroxypropionic acid" C3H6O3 ALRHLSYJTWAHJZ-UHFFFAOYSA-N +HMDB0000710 104.047344122 105.054620522 103.040067722 "4-Hydroxybutyric acid" C4H8O3 SJZRECIVHVDYJC-UHFFFAOYSA-N +HMDB0000714 179.058243159 180.065519559 178.050966759 "Hippuric acid" C9H9NO3 QIAFMBKCNZACKA-UHFFFAOYSA-N +HMDB0000715 189.042593095 190.049869495 188.035316695 "Kynurenic acid" C10H7NO3 HCZHHEIFKROPDY-UHFFFAOYSA-N +HMDB0000718 102.068079564 103.075355964 101.060803164 "Isovaleric acid" C5H10O2 GWYFCOCPABKNJV-UHFFFAOYSA-N +HMDB0000721 172.08479226 173.09206866 171.07751586 Glycylproline C7H12N2O3 KZNQNBZMBZJQJO-UHFFFAOYSA-N +HMDB0000725 131.058243159 132.065519559 130.050966759 4-Hydroxyproline C5H9NO3 PMMYEEVYMWASQN-DMTCNVIQSA-N +HMDB0000742 135.035399227 136.042675627 134.028122827 Homocysteine C4H9NO2S FFFHZYDWPBMWHY-UHFFFAOYSA-N +HMDB0000744 134.021523302 135.028799702 133.014246902 "Malic acid" C4H6O5 BJEPYKJPYRNKOW-UHFFFAOYSA-N +HMDB0000745 240.122240398 241.129516798 239.114963998 Homocarnosine C10H16N4O3 CCLQKVKJOGVQLU-QMMMGPOBSA-N +HMDB0000746 132.07864425 133.08592065 131.07136785 "Hydroxyisocaproic acid" C6H12O3 LVRFTAZAXQPQHI-YFKPBYRVSA-N +HMDB0000751 150.05282343 151.06009983 149.04554703 L-Threo-2-pentulose C5H10O5 ZAQJHHRNXZUBTE-WVZVXSGGSA-N +HMDB0000754 118.062994186 119.070270586 117.055717786 "3-Hydroxyisovaleric acid" C5H10O3 AXFYFNCPONWUHW-UHFFFAOYSA-N +HMDB0000755 182.057908808 183.065185208 181.050632408 "Hydroxyphenyllactic acid" C9H10O4 JVGVDSSUAVXRDY-UHFFFAOYSA-N +HMDB0000763 191.058243159 192.065519559 190.050966759 "5-Hydroxyindoleacetic acid" C10H9NO3 DUUGKQCEGZLZNO-UHFFFAOYSA-N +HMDB0000765 182.07903818 183.08631458 181.07176178 Mannitol C6H14O6 FBPFZTCFMRRESA-KVTDHHQDSA-N +HMDB0000784 188.104859 189.1121354 187.0975826 "Azelaic acid" C9H16O4 BDJRBEYXGGNYIS-UHFFFAOYSA-N +HMDB0000787 241.117489371 242.124765771 240.110212971 Sapropterin C9H15N5O3 FNKQXYHWGSIFBK-BYAPIUGTSA-N +HMDB0000797 454.073708604 455.080985004 453.066432204 SAICAR C13H19N4O12P NAQGHJTUZRHGAC-ZZZDFHIKSA-N +HMDB0000806 228.20893014 229.21620654 227.20165374 "Myristic acid" C14H28O2 TUNFSRHWOTWDNC-UHFFFAOYSA-N +HMDB0000812 175.048072403 176.055348803 174.040796003 "N-Acetyl-L-aspartic acid" C6H9NO5 OTCCIMWXFLJLIA-BYPYZUCNSA-N +HMDB0000819 183.089543287 184.096819687 182.082266887 Normetanephrine C9H13NO3 YNYAYWLBAHXHLL-UHFFFAOYSA-N +HMDB0000824 217.131408101 218.138684501 216.124131701 Propionylcarnitine C10H19NO4 UFAHZIUFPNSHSL-UHFFFAOYSA-N +HMDB0000827 284.271530396 285.278806796 283.264253996 "Stearic acid" C18H36O2 QIQXTHQIDYTFRH-UHFFFAOYSA-N +HMDB0000830 267.095416525 268.102692925 266.088140125 "Neuraminic acid" C9H17NO8 CERZMXAJYMMUDR-YOQZMRDMSA-N +HMDB0000845 253.081103865 254.088380265 252.073827465 Neopterin C9H11N5O4 BMQYVXCPAOLZOK-UHFFFAOYSA-N +HMDB0000863 60.057514878 61.064791278 59.050238478 "Isopropyl alcohol" C3H8O KFZMGEQAYNKOFK-UHFFFAOYSA-N +HMDB0000870 111.079647303 112.086923703 110.072370903 Histamine C5H9N3 NTYJJOPFIAHURM-UHFFFAOYSA-N +HMDB0000883 117.078978601 118.086255001 116.071702201 L-Valine C5H11NO2 KZSNJWFQEVHDMF-BYPYZUCNSA-N +HMDB0000893 174.089208936 175.096485336 173.081932536 "Suberic acid" C8H14O4 TYFQFVWCELRYAO-UHFFFAOYSA-N +HMDB0000895 146.118103761 147.125380161 145.110827361 "Acetylcholine " C7H16NO2 OIPILFWXSMYKGL-UHFFFAOYSA-N +HMDB0000898 125.095297367 126.102573767 124.088020967 1-Methylhistamine C6H11N3 FHQDWPCFSJMNCT-UHFFFAOYSA-N +HMDB0000904 175.095691297 176.102967697 174.088414897 Citrulline C6H13N3O3 RHGKLRLOHDJJDR-BYPYZUCNSA-N +HMDB0000906 59.073499293 60.080775693 58.066222893 Trimethylamine C3H9N GETQZCLCWQTVFV-UHFFFAOYSA-N +HMDB0000912 383.107712545 384.114988945 382.100436145 Succinyladenosine C14H17N5O8 VKGZCEJTCKHMRL-VWJPMABRSA-N +HMDB0000929 204.089877638 205.097154038 203.082601238 L-Tryptophan C11H12N2O2 QIVBCDIJIAJPQS-VIFPVBQESA-N +HMDB0000939 384.12158847 385.12886487 383.11431207 S-Adenosylhomocysteine C14H20N6O5S ZJUKTBDSGOFHSH-WFMPWKQPSA-N +HMDB0000990 44.02621475 45.03349115 43.01893835 Acetaldehyde C2H4O IKHGUXGNUITLKF-UHFFFAOYSA-N +HMDB0000996 153.009578407 154.016854807 152.002302007 3-Sulfinoalanine C3H7NO4S WVMUCBHSEHBMKA-REOHCLBHSA-N +HMDB0001035 1045.534514801 1046.541791201 1044.527238401 "Angiotensin II" C50H71N13O12 CZGUSIXMZVURDU-JZXHSEFVSA-N +HMDB0001043 304.240230268 305.247506668 303.232953868 "Arachidonic acid" C20H32O2 YZXBAPSDXZZRGB-DOFZRALJSA-N +HMDB0001046 176.094963016 177.102239416 175.087686616 Cotinine C10H12N2O UIKROCXWUNQSPJ-UHFFFAOYSA-N +HMDB0001067 304.090665498 305.097941898 303.083389098 "N-Acetylaspartylglutamic acid" C11H16N2O8 OPVPGKGADVGKTG-UHFFFAOYSA-N +HMDB0001085 336.230059512 337.237335912 335.222783112 "Leukotriene B4" C20H32O4 VNYSSYRCGWBHLG-AMOLWHMGSA-N +HMDB0001123 137.047678473 138.054954873 136.040402073 "2-Aminobenzoic acid" C7H7NO2 RWZYAGGXGHYGMB-UHFFFAOYSA-N +HMDB0001139 354.240624198 355.247900598 353.233347798 "Prostaglandin F2a" C20H34O5 PXGPLTODNUVGFL-UAAPODJFSA-N +HMDB0001185 399.145063566 400.152339966 398.137787166 S-Adenosylmethionine C15H23N6O5S MEFKEPWMEQBLKI-AIRLBKTGSA-O +HMDB0001189 179.094628665 180.101905065 178.087352265 2(N)-Methyl-norsalsolinol C10H13NO2 WETXYFNVBDLWIW-UHFFFAOYSA-N +HMDB0001198 625.303300807 626.310577207 624.296024407 "Leukotriene C4" C30H47N3O9S GWNVDXQDILPJIG-NXOLIXFESA-N +HMDB0001201 443.024329371 444.031605771 442.017052971 "Guanosine diphosphate" C10H15N5O11P2 QGWNDRXFNXRZMB-UUOKFMHZSA-N +HMDB0001220 352.224974134 353.232250534 351.217697734 "Prostaglandin E2" C20H32O5 XEYBRNLFEZDVAW-ARSRFYASSA-N +HMDB0001247 26.981538441 27.988814841 25.974262041 Aluminum Al XAGFODPZIPBFFR-UHFFFAOYSA-N +HMDB0001256 202.215746852 203.223023252 201.208470452 Spermine C10H26N4 PFNFFQXMRSDOHW-UHFFFAOYSA-N +HMDB0001257 145.157897623 146.165174023 144.150621223 Spermidine C7H19N3 ATHGHQPFGPMSJY-UHFFFAOYSA-N +HMDB0001259 102.031694058 103.038970458 101.024417658 "Succinic acid semialdehyde" C4H6O3 UIUJIQZEACWQSV-UHFFFAOYSA-N +HMDB0001273 522.990659781 523.997936181 521.983383381 "Guanosine triphosphate" C10H16N5O14P3 XKMLYUALXHKNFT-UUOKFMHZSA-N +HMDB0001302 97.905407846 98.912684246 96.898131446 Molybdenum Mo MMVYPOCJESWGTC-UHFFFAOYSA-N +HMDB0001310 89.047678473 90.054954873 88.040402073 D-Alanine C3H7NO2 QNAYBMKLOCPYGJ-UWTATZPHSA-N +HMDB0001311 90.031694058 91.038970458 89.024417658 "D-Lactic acid" C3H6O3 JVTAAEKCZFNVCJ-UWTATZPHSA-N +HMDB0001314 345.047434275 346.054710675 344.040157875 "Cyclic GMP" C10H12N5O7P ZOOGRGPOEVQQDX-UUOKFMHZSA-N +HMDB0001315 30.973761512 31.981037912 29.966485112 Phosphorus P OAICVXFJPJFONN-UHFFFAOYSA-N +HMDB0001325 188.152477894 189.159754294 187.145201494 N6,N6,N6-Trimethyl-L-lysine C9H20N2O2 MXNRLFUSFKVQSK-QMMMGPOBSA-N +HMDB0001327 84.911789341 85.919065741 83.904512941 Rubidium Rb NCCSSGKUIKYAJD-UHFFFAOYSA-N +HMDB0001333 54.938049636 55.945326036 53.930773236 Manganese Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N +HMDB0001336 168.042258744 169.049535144 167.034982344 "3,4-Dihydroxybenzeneacetic acid" C8H8O4 CFFZDZCDUFSOFZ-UHFFFAOYSA-N +HMDB0001341 427.029414749 428.036691149 426.022138349 ADP C10H15N5O10P2 XTWYTFMLZFPYCI-KQYNXXCUSA-N +HMDB0001348 731.606699942 732.613976342 730.599423542 SM(d18:1/18:0) C41H84N2O6P LKQLRGMMMAHREN-YJFXYUILSA-O +HMDB0001349 79.916521828 80.923798228 78.909245428 Selenium Se MFSBVGSNNPNWMD-UHFFFAOYSA-N +HMDB0001355 291.033029765 292.040306165 290.025753365 Parathion C10H14NO5PS LCCNCVORNKJIRZ-UHFFFAOYSA-N +HMDB0001372 425.044967696 426.052244096 424.037691296 "Thiamine pyrophosphate" C12H19N4O7P2S AYEKOFBPNLCAJY-UHFFFAOYSA-O +HMDB0001389 232.121177766 233.128454166 231.113901366 Melatonin C13H16N2O2 DRLFMBDRBRZALE-UHFFFAOYSA-N +HMDB0001396 459.186631567 460.193907967 458.179355167 "5-Methyltetrahydrofolic acid" C20H25N7O6 ZNOVTXRBGFNYRX-ZGTCLIOFSA-N +HMDB0001403 352.224974134 353.232250534 351.217697734 "Prostaglandin D2" C20H32O5 BHMBVRSPMRCCGG-OUTUXVNYSA-N +HMDB0001414 88.100048394 89.107324794 87.092771994 Putrescine C4H12N2 KIDHWZJUCRJVML-UHFFFAOYSA-N +HMDB0001419 402.349780716 403.357057116 401.342504316 24-Hydroxycholesterol C27H46O2 IOWMKBFJCNLRTC-XWXSNNQWSA-N +HMDB0001431 168.089877638 169.097154038 167.082601238 Pyridoxamine C8H12N2O2 NHZMQXZHNVQTQA-UHFFFAOYSA-N +HMDB0001432 130.121846468 131.129122868 129.114570068 Agmatine C5H14N4 QYPPJABKJHAVHS-UHFFFAOYSA-N +HMDB0001434 211.084457909 212.091734309 210.077181509 3-Methoxytyrosine C10H13NO4 PFDUUKDQEHURQC-UHFFFAOYSA-N +HMDB0001449 318.255880332 319.263156732 317.248603932 Allopregnanolone C21H34O2 AURFZBICLPNKBZ-SYBPFIFISA-N +HMDB0001452 352.224974134 353.232250534 351.217697734 "Thromboxane A2" C20H32O5 DSNBHJFQCNUKMA-SCKDECHMSA-N +HMDB0001453 57.975144695 58.982421095 56.967868295 Thiocyanate CNS ZMZDMBWJUHKJPS-UHFFFAOYSA-M +HMDB0001475 89.904703679 90.911980079 88.897427279 Zirconium Zr GBNDTYKAOXLLID-UHFFFAOYSA-N +HMDB0001478 71.949056008 72.956332408 70.941779608 Gallium GaH3 PHMDYZQXPPOZDG-UHFFFAOYSA-N +HMDB0001488 123.032028409 124.039304809 122.024752009 "Nicotinic acid" C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N +HMDB0001490 184.073558872 185.080835272 183.066282472 Vanylglycol C9H12O4 FBWPWWWZWKPJFL-UHFFFAOYSA-N +HMDB0001491 247.024573569 248.031849969 246.017297169 "Pyridoxal 5'-phosphate" C8H10NO6P NGVDGCNFYWLIFO-UHFFFAOYSA-N +HMDB0001496 402.349780716 403.357057116 401.342504316 7a-Hydroxycholesterol C27H46O2 OYXZMSRRJOYLLO-AWBHSAGMSA-N +HMDB0001509 352.224974134 353.232250534 351.217697734 "20-Hydroxy-leukotriene B4" C20H32O5 PTJFJXLGRSTECQ-PSPARDEHSA-N +HMDB0001522 73.063997239 74.071273639 72.056720839 Methylguanidine C2H7N3 CHJJGSNFBQVOTG-UHFFFAOYSA-N +HMDB0001539 202.14297584 203.15025224 201.13569944 "Asymmetric dimethylarginine" C8H18N4O2 YDGMGEXADBMOMJ-LURJTMIESA-N +HMDB0001545 167.058243159 168.065519559 166.050966759 Pyridoxal C8H9NO3 RADKZDMFGJYCBB-UHFFFAOYSA-N +HMDB0001565 184.073869485 185.081145885 183.066593085 Phosphorylcholine C5H15NO4P YHHSONZFOIEMCP-UHFFFAOYSA-O +HMDB0001644 150.05282343 151.06009983 149.04554703 D-Xylulose C5H10O5 ZAQJHHRNXZUBTE-WUJLRWPWSA-N +HMDB0001659 58.041864814 59.049141214 57.034588414 Acetone C3H6O CSCPPACGZOOCGX-UHFFFAOYSA-N +HMDB0001830 314.224580204 315.231856604 313.217303804 Progesterone C21H30O2 RJKFOVLPORLFTN-LEKSSAKUSA-N +HMDB0001842 59.048347175 60.055623575 58.041070775 Guanidine CH5N3 ZRALSGWEFCBTJO-UHFFFAOYSA-N +HMDB0001847 194.080375584 195.087651984 193.073099184 Caffeine C8H10N4O2 RYYVLZVUVIJVGH-UHFFFAOYSA-N +HMDB0001851 152.068473494 153.075749894 151.061197094 L-Arabitol C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N +HMDB0001855 177.078978601 178.086255001 176.071702201 5-Hydroxytryptophol C10H11NO2 KQROHCSYOGBQGJ-UHFFFAOYSA-N +HMDB0001859 151.063328537 152.070604937 150.056052137 Acetaminophen C8H9NO2 RZVAJINKPMORJF-UHFFFAOYSA-N +HMDB0001860 180.06472552 181.07200192 179.05744912 Paraxanthine C7H8N4O2 QUNWUDVFRNGTCO-UHFFFAOYSA-N +HMDB0001873 88.0524295 89.0597059 87.0451531 "Isobutyric acid" C4H8O2 KQNPFQTWMSNSAP-UHFFFAOYSA-N +HMDB0001875 32.02621475 33.03349115 31.01893835 Methanol CH4O OKKJLVBELUTLKV-UHFFFAOYSA-N +HMDB0001881 76.0524295 77.0597059 75.0451531 "Propylene glycol" C3H8O2 DNIAPMSPPWPWGF-UHFFFAOYSA-N +HMDB0001889 180.06472552 181.07200192 179.05744912 Theophylline C7H8N4O2 ZFXYFBGIUFBOJW-UHFFFAOYSA-N +HMDB0001893 430.381080844 431.388357244 429.373804444 alpha-Tocopherol C29H50O2 GVJHHUAWPYXKBD-IEOSBIPESA-N +HMDB0001896 191.094628665 192.101905065 190.087352265 5-Methoxytryptophol C11H13NO2 QLWKTGDEPLRFAT-UHFFFAOYSA-N +HMDB0001897 1346.728146002 1347.735422402 1345.720869602 "Substance P" C63H98N18O13S ADNPLDHMAVUMIW-SGTHPBLKSA-N +HMDB0001904 226.05897144 227.06624784 225.05169504 3-Nitrotyrosine C9H10N2O5 FBTSQILOGYXGMD-LURJTMIESA-N +HMDB0001920 271.193614427 272.200890827 270.186338027 Dextromethorphan C18H25NO MKXZASYAUGDDCJ-CGTJXYLNSA-N +HMDB0001925 206.13067982 207.13795622 205.12340342 Ibuprofen C13H18O2 HEFNNWSXXWATRW-UHFFFAOYSA-N +HMDB0001929 361.143784348 362.151060748 360.136507948 Levofloxacin C18H20FN3O4 GSDSWSVVBLHKDQ-JTQLQIEISA-N +HMDB0001959 231.158291553 232.165567953 230.151015153 Gamma-Aminobutyryl-lysine C10H21N3O3 OCBQYJFUZHJRIU-UHFFFAOYSA-N +HMDB0001960 123.933496699 124.940773099 122.926220299 Tin H4Sn PXQLTWWGPFDWNT-UHFFFAOYSA-N +HMDB0001966 47.947947053 48.955223453 46.940670653 Titanium Ti LCKIEQZJEYYRIY-UHFFFAOYSA-N +HMDB0001980 1055.431705989 1056.438982389 1054.424429589 Vasopressin C46H65N13O12S2 BJFIDCADFRDPIO-ZCCHBGLBSA-N +HMDB0001989 183.950932553 184.958208953 182.943656153 Tungsten W YFGRPIXHCIXTLM-UHFFFAOYSA-N +HMDB0002013 231.14705816 232.15433456 230.13978176 Butyrylcarnitine C11H21NO4 QWYFHHGCZUCMBN-SECBINFHSA-N +HMDB0002017 121.089149357 122.096425757 120.081872957 1-Phenylethylamine C8H11N RQEUFEKYXDPUSK-UHFFFAOYSA-N +HMDB0002024 126.042927446 127.050203846 125.035651046 "Imidazoleacetic acid" C5H6N2O2 PRJKNHOMHKJCEJ-UHFFFAOYSA-N +HMDB0002027 384.33921603 385.34649243 383.33193963 8-Dehydrocholesterol C27H44O VUKORTMHZDZZFR-BXAZICILSA-N +HMDB0002031 146.069142196 147.076418596 145.061865796 "Ureidoisobutyric acid" C5H10N2O3 PHENTZNALBMCQD-UHFFFAOYSA-N +HMDB0002032 167.044324429 168.051600829 166.037048029 8-Hydroxyguanine C5H5N5O2 CLGFIVUFZRGQRP-UHFFFAOYSA-N +HMDB0002038 160.121177766 161.128454166 159.113901366 N(6)-Methyllysine C7H16N2O2 PQNASZJZHFPQLE-LURJTMIESA-N +HMDB0002044 299.086583173 300.093859573 298.079306773 8-Hydroxyguanosine C10H13N5O6 FPGSEBKFEJEOSA-UMMCILCDSA-N +HMDB0002061 "Hyaluronic acid" (C14H21NO11)nH2O LJKKEBYAXYCTNF-GIXQJHCPSA-N +HMDB0002100 299.282429433 300.289705833 298.275153033 Palmitoylethanolamide C18H37NO2 HXYVTAGFYLMHSO-UHFFFAOYSA-N +HMDB0002103 402.349780716 403.357057116 401.342504316 27-Hydroxycholesterol C27H46O2 FYHRJWMENCALJY-YSQMORBQSA-N +HMDB0002111 18.010564686 19.017841086 17.003288286 Water H2O XLYOFNOQVPJJNP-UHFFFAOYSA-N +HMDB0002151 78.013935504 79.021211904 77.006659104 "Dimethyl sulfoxide" C2H6OS IAZDPXIOMUYVGZ-UHFFFAOYSA-N +HMDB0002174 1328.563777 1329.5710534 1327.5565006 Cobalamin C62H88CoN13O14P NSLAUEAQDBERRV-DSRCUDDDSA-L +HMDB0002175 27.976926533 28.984202933 26.969650133 Silicon Si RWMKKWXZFRMVPB-UHFFFAOYSA-N +HMDB0002179 62.995642896 64.002919296 61.988366496 Peroxynitrite HNO3 CMFNMSMUKZHDEY-UHFFFAOYSA-N +HMDB0002183 328.240230268 329.247506668 327.232953868 "Docosahexaenoic acid" C22H32O2 MBMBGCFOFBJSGT-KUBAVDMBSA-N +HMDB0002200 439.239244469 440.246520869 438.231968069 "Leukotriene E4" C23H37NO5S OTZRAYGBFWZKMX-FRFVZSDQSA-N +HMDB0002243 123.032028409 124.039304809 122.024752009 "Picolinic acid" C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N +HMDB0002265 338.245709576 339.252985976 337.238433176 14,15-DiHETrE C20H34O4 SYAWGTIVOGUZMM-ILYOTBPNSA-N +HMDB0002274 1343.587806391 1344.595082791 1342.580529991 Methylcobalamin C63H91CoN13O14P JEWJRMKHSMTXPP-WZHZPDAFSA-L +HMDB0002283 320.23514489 321.24242129 319.22786849 14R,15S-EpETrE C20H32O3 JBSCUHKPLGKXKH-LLZJRKGESA-N +HMDB0002290 74.921596417 75.928872817 73.914320017 Arsenic As LULLIKNODDLMDQ-UHFFFAOYSA-N +HMDB0002303 62.019020882 63.026297282 61.011744482 Dimethylsulfide C2H6S QMMFVYPAHWMCMS-UHFFFAOYSA-N +HMDB0002311 338.245709576 339.252985976 337.238433176 8,9-DiHETrE C20H34O4 DCJBINATHQHPKO-TYAUOURKSA-N +HMDB0002314 338.245709576 339.252985976 337.238433176 11,12-DiHETrE C20H34O4 LRPPQRCHCPFBPE-KROJNAHFSA-N +HMDB0002386 11.009305466 12.016581866 10.002029066 Boron B FRWDHMWMHYXNLW-UHFFFAOYSA-N +HMDB0002387 9.012182135 10.019458535 8.004905735 Beryllium Be PWOSZCQLSAMRQW-UHFFFAOYSA-N +HMDB0002457 57.935347922 58.942624322 56.928071522 Nickel Ni VEQPNABPJHWNSG-UHFFFAOYSA-N +HMDB0002500 78.918337647 79.925614047 77.911061247 Bromide Br CPELXLSAUQHCOX-UHFFFAOYSA-M +HMDB0002503 50.943963675 51.951240075 49.936687275 Vanadium V KOKKJWHERHSKEB-UHFFFAOYSA-N +HMDB0002659 106.90509302 107.91236942 105.89781662 Silver Ag FOIXSVOLVBLSDH-UHFFFAOYSA-N +HMDB0002666 344.070812254 345.078088654 343.063535854 "Thiamine monophosphate" C12H17N4O4PS HZSAJDVWZRBGIF-UHFFFAOYSA-N +HMDB0002712 164.068473494 165.075749894 163.061197094 1,5-Anhydrosorbitol C6H12O5 MPCAJMNYNOGXPB-SLPGGIOYSA-N +HMDB0002786 47.000728281 48.008004681 45.993451881 Nitrite HNO2 IOVCWXUNBOPUCH-UHFFFAOYSA-N +HMDB0002820 140.05857751 141.06585391 139.05130111 "Methylimidazoleacetic acid" C6H8N2O2 ZHCKPJGJQOPTLB-UHFFFAOYSA-N +HMDB0002825 180.06472552 181.07200192 179.05744912 Theobromine C7H8N4O2 YAPQBXQYLJRXSA-UHFFFAOYSA-N +HMDB0002865 1006.436457016 1007.443733416 1005.429180616 Oxytocin C43H66N12O12S2 XNOPRXBHLZRZKH-MQYCRUOZSA-N +HMDB0002878 61.987817871 62.995094271 60.980541471 Nitrate NO3 NHNBFGGVMKEFGY-UHFFFAOYSA-N +HMDB0002886 370.23553882 371.24281522 369.22826242 "6-Keto-prostaglandin F1a" C20H34O6 KFGOFTHODYBSGM-ZUNNJUQCSA-N +HMDB0002917 152.068473494 153.075749894 151.061197094 D-Xylitol C5H12O5 HEBKCHPVOIAQTA-NGQZWQHPSA-N +HMDB0002961 290.224580204 291.231856604 289.217303804 Dihydrotestosterone C19H30O2 NVKAWKQGWWIWPM-ABEVXSGRSA-N +HMDB0002994 122.057908808 123.065185208 121.050632408 Erythritol C4H10O4 UNXHWFMMPAWVPI-ZXZARUISSA-N +HMDB0003080 496.26070819 497.26798459 495.25343179 "Leukotriene D4" C25H40N2O6S YEESKJGWJFYOOK-IJHYULJSSA-N +HMDB0003157 175.059305791 176.066582191 174.052029391 "Guanidinosuccinic acid" C5H9N3O4 VVHOUVWJCQOYGG-REOHCLBHSA-N +HMDB0003208 296.307915902 297.315192302 295.300639502 Thromboxane C20H40O RZWIIPASKMUIAC-VQTJNVASSA-N +HMDB0003229 254.224580204 255.231856604 253.217303804 "Palmitoleic acid" C16H30O2 SECPZKHBENQXJG-FPLPWBNLSA-N +HMDB0003252 370.23553882 371.24281522 369.22826242 "Thromboxane B2" C20H34O6 XNRNNGPBEPRNAR-JQBLCGNGSA-N +HMDB0003332 264.030373428 265.037649828 263.023097028 "3-Methoxy-4-Hydroxyphenylglycol sulfate" C9H12O7S SBKADJXSGGTEPN-UHFFFAOYSA-N +HMDB0003337 612.151961898 613.159238298 611.144685498 "Oxidized glutathione" C20H32N6O12S2 YPZRWBKMTBYPTK-UHFFFAOYSA-N +HMDB0003366 58.041864814 59.049141214 57.034588414 Propanal C3H6O NBBJYMSMWIIQGU-UHFFFAOYSA-N +HMDB0003378 29.997988627 31.005265027 28.990712227 "Nitric oxide" NO MWUXSHHQAYIFBG-UHFFFAOYSA-N +HMDB0003379 257.909555916 258.916832316 256.902279516 Triphosphate H5O10P3 UNXRWKVEANCORM-UHFFFAOYSA-N +HMDB0003406 105.042593095 106.049869495 104.035316695 D-Serine C3H7NO3 MTCFGRXMJLQNBG-UWTATZPHSA-N +HMDB0003464 145.085126611 146.092403011 144.077850211 "4-Guanidinobutanoic acid" C5H11N3O2 TUHVEAJXIMEOSA-UHFFFAOYSA-N +HMDB0003625 201.970625604 202.977902004 200.963349204 Mercury Hg BQPIGGFYSBELGY-UHFFFAOYSA-N +HMDB0003626 193.110278729 194.117555129 192.103002329 (R)-N-Methylsalsolinol C11H15NO2 RKMGOUZXGHZLBJ-SSDOTTSWSA-N +HMDB0003638 113.903358121 114.910634521 112.896081721 Cadmium Cd WLZRMCYVCSSEQC-UHFFFAOYSA-N +HMDB0003642 87.905614339 88.912890739 86.898337939 Strontium Sr PWYYWQHXAPXYMF-UHFFFAOYSA-N +HMDB0003671 114.10446507 115.11174147 113.09718867 2-Heptanone C7H14O CATSNJVOTSVZJV-UHFFFAOYSA-N +HMDB0003869 275.148120797 276.155397197 274.140844397 Epsilon-(gamma-Glutamyl)-lysine C11H21N3O5 JPKNLFVGUZRHOB-YUMQZZPRSA-N +HMDB0003876 320.23514489 321.24242129 319.22786849 15(S)-HETE C20H32O3 JSFATNQSLKRBCI-VAEKSGALSA-N +HMDB0003892 193.110278729 194.117555129 192.103002329 (S)-N-Methylsalsolinol C11H15NO2 RKMGOUZXGHZLBJ-ZETCQYMHSA-N +HMDB0003933 378.20155335 379.20882975 377.19427695 Pentosidine C17H26N6O4 AYEKKSTZQYEZPU-RYUDHWBXSA-N +HMDB0004063 197.105193351 198.112469751 196.097916951 Metanephrine C10H15NO3 JWJCTZKFYGDABJ-UHFFFAOYSA-N +HMDB0004080 347.282429433 348.289705833 346.275153033 Anandamide C22H37NO2 LGEQQWMQCRIYKG-DOFZRALJSA-N +HMDB0004085 298.28718046 299.29445686 297.27990406 "Tuberculostearic acid" C19H38O2 BEOUGZFCUMNGOU-UHFFFAOYSA-N +HMDB0004087 223.136099549 224.143375949 222.128823149 1-Benzyl-1,2,3,4-tetrahydroisoquinoline C16H17N YRYCIFUZSUMAAY-UHFFFAOYSA-N +HMDB0004118 120.903818044 121.911094444 119.896541644 Antimony Sb FAWGZAFXDJGWBB-UHFFFAOYSA-N +HMDB0004136 122.057908808 123.065185208 121.050632408 D-Threitol C4H10O4 UNXHWFMMPAWVPI-QWWZWVQMSA-N +HMDB0004138 196.966551609 197.973828009 195.959275209 Gold Au ZBKIUFWVEIBQRT-UHFFFAOYSA-N +HMDB0004142 137.905241273 138.912517673 136.897964873 Barium Ba XDFCIPNJCBUZJN-UHFFFAOYSA-N +HMDB0004143 180.947996346 181.955272746 179.940719946 Tantalum Ta WTKKCYNZRWIVKL-UHFFFAOYSA-N +HMDB0004207 275.148120797 276.155397197 274.140844397 Glutamyllysine C11H21N3O5 BBBXWRGITSUJPB-YUMQZZPRSA-N +HMDB0004225 173.080041233 174.087317633 172.072764833 2-Oxoarginine C6H11N3O3 ARBHXJXXVVHMET-UHFFFAOYSA-N +HMDB0004236 334.214409448 335.221685848 333.207133048 "Prostaglandin B2" C20H30O4 PRFXRIUZNKLRHM-RYPCXPIFSA-N +HMDB0004259 264.11100701 265.11828341 263.10373061 Acetyl-N-formyl-5-methoxykynurenamine C13H16N2O4 JYWNYMJKURVPFH-UHFFFAOYSA-N +HMDB0004264 320.23514489 321.24242129 319.22786849 "14,15-Epoxy-5,8,11-eicosatrienoic acid" C20H32O3 JBSCUHKPLGKXKH-ILYOTBPNSA-N +HMDB0004362 156.115029756 157.122306156 155.107753356 4-Hydroxynonenal C9H16O2 JVJFIQYAHPMBBX-FNORWQNLSA-N +HMDB0004620 216.122240398 217.129516798 215.114963998 N-a-Acetyl-L-arginine C8H16N4O3 SNEIUMQYRCDYCH-LURJTMIESA-N +HMDB0004628 207.97663585 208.98391225 206.96935945 Lead Pb RVPVRDXYQKGNMQ-UHFFFAOYSA-N +HMDB0004645 336.073969576 337.081245976 335.066693176 S-Nitrosoglutathione C10H16N4O7S HYHSBSXUHZOYLX-WDSKDSINSA-N +HMDB0004659 280.31300128 281.32027768 279.30572488 8-Isoprostane C20H40 UKVVPDHLUHAJNZ-UXHICEINSA-N +HMDB0004666 378.277009704 379.284286104 377.269733304 2-Arachidonylglycerol C23H38O4 RCRCTBLIHCHWDZ-DOFZRALJSA-N +HMDB0004667 296.23514489 297.24242129 295.22786849 "13S-hydroxyoctadecadienoic acid" C18H32O3 HNICUWMFWZBIFP-IRQZEAMPSA-N +HMDB0004669 294.219494826 295.226771226 293.212218426 9-OxoODE C18H30O3 LUZSWWYKKLTDHU-ZJHFMPGASA-N +HMDB0004670 296.23514489 297.24242129 295.22786849 "Alpha-dimorphecolic acid" C18H32O3 NPDSHTNEKLQQIJ-UINYOVNOSA-N +HMDB0004679 320.23514489 321.24242129 319.22786849 8-HETE C20H32O3 NLUNAYAEIJYXRB-VYOQERLCSA-N +HMDB0004682 320.23514489 321.24242129 319.22786849 11(R)-HETE C20H32O3 GCZRCCHPLVMMJE-RSPKXIRXSA-N +HMDB0004701 296.23514489 297.24242129 295.22786849 "9,10-Epoxyoctadecenoic acid" C18H32O3 FBUKMFOXMZRGRB-YFHOEESVSA-N +HMDB0004702 296.23514489 297.24242129 295.22786849 12,13-EpOME C18H32O3 CCPPLLJZDQAOHD-FLIBITNWSA-N +HMDB0004704 314.245709576 315.252985976 313.238433176 9,10-DHOME C18H34O4 XEBKSQSGNGRGDW-YFHOEESVSA-N +HMDB0004705 314.245709576 315.252985976 313.238433176 12,13-DHOME C18H34O4 CQSLTKIXAJTQGA-FLIBITNWSA-N +HMDB0004710 330.240624198 331.247900598 329.233347798 9,10,13-TriHOME C18H34O5 NTVFQBIHLSPEGQ-SYMVGPSASA-N +HMDB0004983 94.008850126 95.016126526 93.001573726 "Dimethyl sulfone" C2H6O2S HHVIBTZHLRERCL-UHFFFAOYSA-N +HMDB0004988 140.05857751 141.06585391 139.05130111 "Pi-Methylimidazoleacetic acid" C6H8N2O2 UJCGYTCAMOHYCG-UHFFFAOYSA-N +HMDB0005021 383.166747749 384.174024149 382.159471349 Quetiapine C21H25N3O2S URKOMYMAXPYINW-UHFFFAOYSA-N +HMDB0005199 179.094628665 180.101905065 178.087352265 (R)-Salsolinol C10H13NO2 IBRKLUSXDYATLG-UHFFFAOYSA-N +HMDB0005768 337.175004249 338.182280649 336.167727849 Kyotorphin C15H23N5O4 JXNRXNCCROJZFB-RYUDHWBXSA-N +HMDB0005949 7.016004049 8.023280449 6.008727649 Lithium Li HBBGRARXTFLTSG-UHFFFAOYSA-N +HMDB0005994 100.088815006 101.096091406 99.081538606 Hexanal C6H12O JARKCYVAAOWBJS-UHFFFAOYSA-N +HMDB0005998 320.23514489 321.24242129 319.22786849 "20-Hydroxyeicosatetraenoic acid" C20H32O3 NNDIXBJHNLFJJP-DTLRTWKJSA-N +HMDB0006059 366.204238692 367.211515092 365.196962292 "20-Carboxy-leukotriene B4" C20H30O6 SXWGPVJGNOLNHT-VFLUTPEKSA-N +HMDB0006088 180.063388116 181.070664516 179.056111716 scyllo-Inositol C6H12O6 CDAISMWEOUEBRE-CDRYSYESSA-N +HMDB0006111 320.23514489 321.24242129 319.22786849 12-HETE C20H32O3 ZNHVWPKMFKADKW-FYMOKONMSA-N +HMDB0006112 72.021129372 73.028405772 71.013852972 Malondialdehyde C3H4O2 WSMYVTOQOOLQHP-UHFFFAOYSA-N +HMDB0006119 402.349780716 403.357057116 401.342504316 7b-Hydroxycholesterol C27H46O2 OYXZMSRRJOYLLO-KGZHIOMZSA-N +HMDB0006478 86.073164942 87.080441342 85.065888542 Iso-Valeraldehyde C5H10O YGHRJJRRZDOVPD-UHFFFAOYSA-N +HMDB0006483 133.037507717 134.044784117 132.030231317 "D-Aspartic acid" C4H7NO4 CKLJMWTZIZZHCS-UWTATZPHSA-N +HMDB0006695 228.11100701 229.11828341 227.10373061 Prolylhydroxyproline C10H16N2O4 ONPXCLZMBSJLSP-CSMHCCOUSA-N +HMDB0006730 609.239454997 610.246731397 608.232178597 QYNAD C25H35N7O11 WKBAPRRMZYHPNB-BXBUPLCLSA-N +HMDB0010169 703.575399814 704.582676214 702.568123414 SM(d18:1/16:0) C39H80N2O6P RWKUXQNLWDTSLO-GWQJGLRPSA-O +HMDB0010210 318.219494826 319.226771226 317.212218426 15-KETE C20H30O3 YGJTUEISKATQSM-USWFWKISSA-N +HMDB0010222 320.23514489 321.24242129 319.22786849 9-HETE C20H32O3 KATOYYZUTNAWSA-DLJQHUEDSA-N +HMDB0010223 296.23514489 297.24242129 295.22786849 9-HODE C18H32O3 NPDSHTNEKLQQIJ-SIGMCMEVSA-N +HMDB0010384 523.363789599 524.371065999 522.356513199 LysoPC(18:0) C26H54NO7P IHNKQIMGVNPMTC-RUZDIDTESA-N +HMDB0010395 543.332489471 544.339765871 542.325213071 LysoPC(20:4(5Z,8Z,11Z,14Z)) C28H50NO7P LAXQYRRMGGEGOH-JXRLJXCWSA-N +HMDB0010396 543.332489471 544.339765871 542.325213071 LysoPC(20:4(8Z,11Z,14Z,17Z)) C28H50NO7P GOMVPVRDBLLHQC-VEJNOCSESA-N +HMDB0010409 320.23514489 321.24242129 319.22786849 11,12-EpETrE C20H32O3 DXOYQVHGIODESM-IQCOFVSKSA-N +HMDB0011134 320.23514489 321.24242129 319.22786849 5-HETE C20H32O3 KGIJOOYOSFUGPC-JGKLHWIESA-N +HMDB0011620 125.929815379 126.937091779 124.922538979 Arsenite AsH3O3 GCPXMJHSNVMWNM-UHFFFAOYSA-N +HMDB0011697 815.700600326 816.707876726 814.693323926 SM(d18:1/24:0) C47H96N2O6P QEDPUVGSSDPBMD-XTAIVQBESA-O +HMDB0011698 843.731900454 844.739176854 842.724624054 SM(d18:1/26:0) C49H100N2O6P VRAWSAPVSSLIRI-MVUJCARGSA-O +HMDB0011738 275.111735291 276.119011691 274.104458891 N2-gamma-Glutamylglutamine C10H17N3O6 JBFYFLXEJFQWMU-WDSKDSINSA-N +HMDB0012100 728.583224846 729.590501246 727.575948446 SM(d18:1/18:1(11Z)) C41H81N2O6P FZMKZVXNTLAHFD-RTEXEOPXSA-N +HMDB0012101 728.583224846 729.590501246 727.575948446 SM(d18:1/18:1(9Z)) C41H81N2O6P NBEADXWAAWCCDG-QDDWGVBQSA-N +HMDB0012107 812.67712523 813.68440163 811.66984883 SM(d18:1/24:1(15Z)) C47H93N2O6P WKZHECFHXLTOLJ-QYKFWSDSSA-N +HMDB0012895 1027.400405861 1028.407682261 1026.393129461 "Arginine vasopressin 1-8" C44H61N13O12S2 SXYIOPJBWYQZRQ-VMPYSSHJSA-N +HMDB0012935 1474.912295913 1475.919572313 1473.905019513 "Dynorphin A" C69H116N23O13 ZIHYAUCIMOSJIH-QGLXRRFISA-O +HMDB0013072 1650.73230468 1651.73958108 1649.72502828 Somatostatin C77H106N18O19S2 KTEPWBJBSMMZIC-LJTSQLRWSA-N +HMDB0013122 507.368874977 508.376151377 506.361598577 LysoPC(P-18:0) C26H54NO6P WBOMIOWRFSPZMC-AYICAFKVSA-N +HMDB0013125 233.126322723 234.133599123 232.119046323 Hydroxypropionylcarnitine C10H19NO5 QJGJXKFJFRSERW-QMMMGPOBSA-N +HMDB0013128 246.169984677 247.177261077 245.162708277 Valerylcarnitine C12H24NO4 VSNFQQXVMPSASB-SNVBAGLBSA-O +HMDB0013461 840.708425358 841.715701758 839.701148958 SM(d18:1/26:1(17Z)) C49H97N2O6P YXEXWUZHFGYOHJ-UOJCCMJYSA-N +HMDB0013462 688.515539212 689.522815612 687.508262812 SM(d18:0/14:1(9Z)(OH)) C37H73N2O7P ZNHNJXWKKQKMBU-POWUNZFVSA-N +HMDB0013463 716.54683934 717.55411574 715.53956294 SM(d18:0/16:1(9Z)(OH)) C39H77N2O7P LPHMSPONPQCKTL-FKUNDBCPSA-N +HMDB0013464 702.567574782 703.574851182 701.560298382 SM(d18:0/16:1(9Z)) C39H79N2O6P CGVOQSQIYSUXAT-PPLFXBRHSA-N +HMDB0013465 754.59887491 755.60615131 753.59159851 SM(d18:0/20:2(11Z,14Z)) C43H83N2O6P YVTVVJRJLRHYSJ-XJRFMCMQSA-N +HMDB0013466 800.640739724 801.648016124 799.633463324 SM(d18:0/22:1(13Z)(OH)) C45H89N2O7P ZUSFLIGNJFDBRL-FYGIKZFGSA-N +HMDB0013467 798.62508966 799.63236606 797.61781326 SM(d18:0/22:2(13Z,16Z)(OH)) C45H87N2O7P DRKCMBAZIYFIGX-ZWLRGCNFSA-N +HMDB0013469 828.672039852 829.679316252 827.664763452 SM(d18:0/24:1(15Z)(OH)) C47H93N2O7P IOOMOQUTKQGEFH-BSZNTFKYSA-N +HMDB0013667 88.905847902 89.913124302 87.898571502 Yttrium Y VWQVUPCCIRVNHF-UHFFFAOYSA-N +HMDB0013668 101.904349503 102.911625903 100.897073103 Ruthenium Ru KJTLSVCANCCWHF-UHFFFAOYSA-N +HMDB0013669 132.90544687 133.91272327 131.89817047 Cesium Cs TVFDJXOCXUVLDH-UHFFFAOYSA-N +HMDB0013670 105.903483087 106.910759487 104.896206687 Palladium Pd KDLHZDBZIXYQEI-UHFFFAOYSA-N +HMDB0013671 194.964774449 195.972050849 193.957498049 Platinum Pt BASFCYQUMIYNBI-UHFFFAOYSA-N +HMDB0013672 139.905434035 140.912710435 138.898157635 Cerium Ce GWXLDORMOJMVQZ-UHFFFAOYSA-N +HMDB0015532 63.929146578 64.936422978 62.921870178 Zinc Zn HCHKCACWOHOZIP-UHFFFAOYSA-N +HMDB0029147 275.111735279 276.119011679 274.104458879 N-gamma-Glutamylglutamine C10H17N3O6 FCWNOQOVMGNKNG-WDSKDSINSA-N +HMDB0059655 148.037173366 149.044449766 147.029896966 2-Hydroxyglutarate C5H8O5 HWXBTNAVRSUOJR-UHFFFAOYSA-N
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/banks/RUMEN_v2011Oct19/RUMEN_v2011Oct19.tabular Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,138 @@ +HMDB_ID COMMON_NAME CAS FORMULA MZ_MONO MZ_AVERAGE MZ_[M+H]+ MZ_[M-H]- KEGG_ID BIOCYC_ID INCHI LOCATION TAXONOMY IUPAC +HMDB00020 "p-Hydroxyphenylacetic acid" 156-38-7 C8H8O3 152.047348 152.147 153.0546244 151.0400716 C00642 4-HYDROXYPHENYLACETATE InChI=1/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) Rumen "Organic acids" "2-(4-hydroxyphenyl)acetic acid" +HMDB00033 Carnosine 305-84-0 C9H14N4O3 226.106583 226.232 227.1138594 225.0993066 C00386 CARNOSINE InChI=1/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid" +HMDB00039 "Butyric acid" 107-92-6 C4H8O2 88.052429 88.105 89.0597054 87.0451526 C00246 "Not Available" InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) Rumen "Organic acids" "Butanoic acid" +HMDB00042 "Acetic acid" 64-19-7 C2H4O2 60.021130 60.052 61.0284064 59.0138536 C00033 ACET InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4) Rumen "Organic acids" "acetic acid" +HMDB00060 "Acetoacetic acid" 541-50-4 C4H6O3 102.031693 102.089 103.0389694 101.0244166 C00164 3-KETOBUTYRATE InChI=1/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7) Rumen "Organic acids" "3-oxobutanoic acid" +HMDB00097 Choline 62-49-7 C5H14NO 104.107536 104.171 105.1148124 103.1002596 C00114 CPD-563 InChI=1/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 Rumen "Amino acids and Amino Acid conjugates" 2-hydroxyethyl-trimethyl-ammonium +HMDB00108 Ethanol 64-17-5 C2H6O 46.041866 46.068 47.0491424 45.0345896 C00469 ETOH InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3 Rumen Alcohols ethanol +HMDB00122 D-Glucose 50-99-7 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00031 GLC InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6u/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (3R,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol +HMDB00123 Glycine 56-40-6 C2H5NO2 75.032028 75.067 76.0393044 74.0247516 C00037 GLY InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) Rumen "Amino acids and Amino Acid conjugates" "2-aminoacetic acid" +HMDB00131 Glycerol 56-81-5 C3H8O3 92.047340 92.094 93.0546164 91.0400636 C00116 GLYCEROL InChI=1/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 Rumen Alcohols 1,2,3-Propanetriol +HMDB00134 "Fumaric acid" 110-17-8 C4H4O4 116.010956 116.072 117.0182324 115.0036796 C00122 FUM InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+ Rumen "Organic acids" "(E)-2-Butenedioic acid" +HMDB00142 "Formic acid" 64-18-6 CH2O2 46.005478 46.025 47.0127544 44.9982016 C00058 FORMATE InChI=1/CH2O2/c2-1-3/h1H,(H,2,3) Rumen "Organic acids" "Formic acid" +HMDB00143 D-Galactose 59-23-4 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00124 GALACTOSE InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" alpha-D-galactopyranose +HMDB00149 Ethanolamine 141-43-5 C2H7NO 61.052765 61.083 62.0600414 60.0454886 C00189 ETHANOL-AMINE InChI=1/C2H7NO/c3-1-2-4/h4H,1-3H2 Rumen Alcohols 2-aminoethanol +HMDB00157 Hypoxanthine 68-94-0 C5H4N4O 136.038513 136.111 137.0457894 135.0312366 C00262 HYPOXANTHINE InChI=1/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) Rumen "Nucleosides and Nucleoside conjugates" 3,7-dihydropurin-6-one +HMDB00158 L-Tyrosine 60-18-4 C9H11NO3 181.073898 181.189 182.0811744 180.0666216 C00082 TYR InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2-amino-3-(4-hydroxyphenyl)-propanoic acid" +HMDB00159 L-Phenylalanine 63-91-2 C9H11NO2 165.078979 165.189 166.0862554 164.0717026 C00079 PHE InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2-amino-3-phenyl-propanoic acid" +HMDB00161 L-Alanine 56-41-7 C3H7NO2 89.047676 89.093 90.0549524 88.0403996 C00041 L-ALPHA-ALANINE InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-aminopropanoic acid" +HMDB00162 L-Proline 147-85-3 C5H9NO2 115.063332 115.131 116.0706084 114.0560556 C00148 PRO InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-pyrrolidine-2-carboxylic acid" +HMDB00163 D-Maltose 69-79-4 C12H22O11 342.116211 342.297 343.1234874 341.1089346 C00208 MALTOSE InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9-,10-,11+,12-/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol +HMDB00164 Methylamine 74-89-5 CH5N 31.042198 31.057 32.0494744 30.0349216 C00218 CPD-4521 InChI=1/CH5N/c1-2/h2H2,1H3 Rumen Amines methanamine +HMDB00167 L-Threonine 72-19-5 C4H9NO3 119.058243 119.119 120.0655194 118.0509666 C00188 THR InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 Rumen "Amino acids and Amino Acid conjugates" "2-amino-3-hydroxy-butanoic acid" +HMDB00169 D-Mannose 3458-28-4 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00159 MANNOSE InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol +HMDB00172 L-Isoleucine 73-32-5 C6H13NO2 131.094635 131.173 132.1019114 130.0873586 C00407 ILE InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2-amino-3-methylpentanoic acid" +HMDB00174 L-Fucose 2438-80-4 C6H12O5 164.068481 164.156 165.0757574 163.0612046 C01019 L-FUCOSE InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol +HMDB00177 L-Histidine 71-00-1 C6H9N3O2 155.069473 155.155 156.0767494 154.0621966 C00135 HIS InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2-amino-3-(3H-imidazol-4-yl)propanoic acid" +HMDB00182 L-Lysine 56-87-1 C6H14N2O2 146.105530 146.188 147.1128064 145.0982536 C00047 LYS InChI=1/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2,6-diaminohexanoic acid" +HMDB00187 L-Serine 56-45-1 C3H7NO3 105.042595 105.093 106.0498714 104.0353186 C00065 SER InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2-amino-3-hydroxy-propanoic acid" +HMDB00190 "L-Lactic acid" 79-33-4 C3H6O3 90.031693 90.078 91.0389694 89.0244166 C00186 L-LACTATE InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1 Rumen "Organic acids" "(2S)-2-hydroxypropanoic acid" +HMDB00191 "L-Aspartic acid" 56-84-8 C4H7NO4 133.037506 133.103 134.0447824 132.0302296 C00049 L-ASPARTATE InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2-aminobutanedioic acid" +HMDB00202 "Methylmalonic acid" 516-05-2 C4H6O4 118.026611 118.088 119.0338874 117.0193346 C02170 "Not Available" InChI=1/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) Rumen "Organic acids" "2-methylpropanedioic acid" +HMDB00205 "Phenylpyruvic acid" 156-06-9 C9H8O3 164.047348 164.158 165.0546244 163.0400716 C00166 PHENYL-PYRUVATE InChI=1/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12) Rumen "Organic acids" "2-oxo-3-phenyl-propanoic acid" +HMDB00207 "Oleic acid" 112-80-1 C18H34O2 282.255890 282.461 283.2631664 281.2486136 C00712 OLEATE-CPD InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- Rumen "Organic acids" "9-Octadecenoic acid" +HMDB00209 "Phenylacetic acid" 103-82-2 C8H8O2 136.052429 136.148 137.0597054 135.0451526 C07086 PHENYLACETATE InChI=1/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) Rumen "Organic acids" "2-phenylacetic acid" +HMDB00214 Ornithine 70-26-8 C5H12N2O2 132.089874 132.161 133.0971504 131.0825976 C00077 L-ORNITHINE InChI=1/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2,5-diaminopentanoic acid" +HMDB00215 N-Acetyl-D-glucosamine 7512-17-6 C8H15NO6 221.089935 221.208 222.0972114 220.0826586 C00140 ALPHA-D-GALACTOSYL-13-BETA-D-GALACTOS InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m0/s1 Rumen "Carbohydrates and Carbohydrate conjugates" N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide +HMDB00220 "Palmitic acid" 57-10-3 C16H32O2 256.240234 256.424 257.2475104 255.2329576 C00249 CPD-8475 InChI=1/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) Rumen "Organic acids" "Hexadecanoic acid" +HMDB00222 L-Palmitoylcarnitine 2364-67-2 C23H45NO4 399.334869 399.608 400.3421454 398.3275926 C02990 CPD-419 InChI=1/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1 Rumen "Amino acids and Amino Acid conjugates" (3R)-3-hexadecanoyloxy-4-trimethylazaniumylbutanoate +HMDB00235 Thiamine 59-43-8 C12H17N4OS 265.112305 265.355 266.1195814 264.1050286 C00378 THIAMINE InChI=1/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1 Rumen Miscellanous 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1-thia-3-azoniacyclopenta-2,4-dien-5-yl]ethanol +HMDB00237 "Propionic acid" 79-09-4 C3H6O2 74.036781 74.078 75.0440574 73.0295046 C00163 PROPIONATE InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) Rumen "Organic acids" "Propanoic acid" +HMDB00251 Taurine 107-35-7 C2H7NO3S 125.014664 125.147 126.0219404 124.0073876 C00245 "Not Available" InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) Rumen "Amino acids and Amino Acid conjugates" "2-amino-Ethanesulfonic acid" +HMDB00254 "Succinic acid" 110-15-6 C4H6O4 118.026611 118.088 119.0338874 117.0193346 C00042 SUC InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) Rumen "Organic acids" "Butanedioic acid" +HMDB00259 Serotonin 50-67-9 C10H12N2O 176.094955 176.215 177.1022314 175.0876786 C00780 "Not Available" InChI=1/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 Rumen "Heterocyclic molecules" 3-(2-aminoethyl)-1H-Indol-5-ol +HMDB00262 Thymine 65-71-4 C5H6N2O2 126.042931 126.113 127.0502074 125.0356546 C00178 THYMINE InChI=1/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) Rumen "Nucleosides and Nucleoside conjugates" 5-methyl-2,4(1H,3H)-pyrimidinedione +HMDB00267 "Pyroglutamic acid" 98-79-3 C5H7NO3 129.042587 129.114 130.0498634 128.0353106 C01879 CPD-589 InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-5-oxopyrrolidine-2-carboxylic acid" +HMDB00271 Sarcosine 107-97-1 C3H7NO2 89.047676 89.093 90.0549524 88.0403996 C00213 SARCOSINE InChI=1/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) Rumen "Amino acids and Amino Acid conjugates" "2-methylaminoacetic acid" +HMDB00283 D-Ribose 50-69-1 C5H10O5 150.052826 150.130 151.0601024 149.0455496 C00121 CPD-560 InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (3R,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol +HMDB00292 Xanthine 69-89-6 C5H4N4O2 152.033432 152.111 153.0407084 151.0261556 C00385 XANTHINE InChI=1/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) Rumen "Nucleosides and Nucleoside conjugates" 2,6-dihydroxypurin +HMDB00294 Urea 57-13-6 CH4N2O 60.032364 60.055 61.0396404 59.0250876 C00086 UREA InChI=1/CH4N2O/c2-1(3)4/h(H4,2,3,4) Rumen "Ketones and Aldehydes" Urea +HMDB00300 Uracil 66-22-8 C4H4N2O2 112.027275 112.087 113.0345514 111.0199986 C00106 URACIL InChI=1/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) Rumen "Nucleosides and Nucleoside conjugates" 2,4(1H,3H)-Pyrimidinedione +HMDB00357 "3-Hydroxybutyric acid" 300-85-6 C4H8O3 104.047340 104.104 105.0546164 103.0400636 C01089 CPD-335 InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) Rumen "Organic acids" "3-hydroxybutanoic acid" +HMDB00440 "3-Hydroxyphenylacetic acid" 621-37-4 C8H8O3 152.047348 152.147 153.0546244 151.0400716 C05593 3-HYDROXYPHENYLACETATE InChI=1/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) Rumen "Organic acids" "2-(3-hydroxyphenyl)acetic acid" +HMDB00464 Calcium 7440-70-2 [Ca]2+ 39.962589 40.078 40.9698654 38.9553126 C00076 CA%2b2 InChI=1/Ca/q+2 Rumen "Inorganic compounds" calcium +HMDB00516 Beta-D-Glucose 492-61-5 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00221 "Not Available" InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol +HMDB00517 L-Arginine 74-79-3 C6H14N4O2 174.111679 174.201 175.1189554 173.1044026 C00062 ARG InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid" +HMDB00610 CE(18:2(9Z,12Z)) 604-33-1 C45H76O2 648.584534 649.084 649.5918104 647.5772576 C15441 Cholesterol-esters InChI=1/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1 Rumen "Cholesterols and derivatives" [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dode +HMDB00641 L-Glutamine 56-85-9 C5H10N2O3 146.069138 146.145 147.0764144 145.0618616 C00064 GLN InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-amino-4-carbamoyl-butanoic acid" +HMDB00658 CE(16:1(9Z)) 16711-66-3 C43H74O2 622.568909 623.047 623.5761854 621.5616326 C02530 Cholesterol-esters InChI=1/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12-/t34-,36?,37?,38-,39?,40?,42+,43-/m1/s1 Rumen "Cholesterols and derivatives" [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2, +HMDB00660 D-Fructose 53188-23-1 C6H12O6 180.063385 180.156 181.0706614 179.0561086 "C02336; C00095" CPD-535 InChI=1/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol +HMDB00673 "Linoleic acid" 60-33-3 C18H32O2 280.240234 280.445 281.2475104 279.2329576 C01595 "Not Available" InChI=1/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- Rumen "Organic acids" "9,12-Octadecadienoic acid" +HMDB00684 L-Kynurenine 343-65-7 C10H12N2O3 208.084793 208.214 209.0920694 207.0775166 C01718 L-KYNURENINE InChI=1/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid" +HMDB00687 L-Leucine 61-90-5 C6H13NO2 131.094635 131.173 132.1019114 130.0873586 C00123 LEU InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-amino-4-methyl-pentanoic acid" +HMDB00696 L-Methionine 63-68-3 C5H11NO2S 149.051056 149.211 150.0583324 148.0437796 C00073 MET InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-amino-4-methylsulfanyl-butanoic acid" +HMDB00710 "4-Hydroxybutyric acid" 591-81-1 C4H8O3 104.047340 104.104 105.0546164 103.0400636 C00989 CPD-3193 InChI=1/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7) Rumen "Organic acids" "4-hydroxy-butanoic acid" +HMDB00718 "Isovaleric acid" 503-74-2 C5H10O2 102.068077 102.132 103.0753534 101.0608006 C08262 "Not Available" InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) Rumen "Organic acids" "3-methyl-butanoic acid" +HMDB00738 Indole 120-72-9 C8H7N 117.057846 117.148 118.0651224 116.0505696 C00463 INDOLE InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H Rumen "Heterocyclic molecules" 1H-indole +HMDB00764 "Hydrocinnamic acid" 501-52-0 C9H10O2 150.068085 150.174 151.0753614 149.0608086 C05629 "Not Available" InChI=1/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) Rumen "Organic acids" "Benzenepropanoic acid" +HMDB00806 "Myristic acid" 544-63-8 C14H28O2 228.208923 228.371 229.2161994 227.2016466 C06424 "Not Available" InChI=1/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) Rumen "Organic acids" "tetradecanoic acid" +HMDB00821 Phenylacetylglycine 500-98-1 C10H11NO3 193.073898 193.199 194.0811744 192.0666216 C05596 "Not Available" InChI=1/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14) Rumen "Amino acids and Amino Acid conjugates" "2-(2-phenylacetyl)aminoacetic acid" +HMDB00824 Propionylcarnitine 17298-37-2 C10H19NO4 217.131409 217.262 218.1386854 216.1241326 C03017 "Not Available" InChI=1/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3 Rumen "Amino acids and Amino Acid conjugates" 3-propanoyloxy-4-trimethylammonio-butanoate +HMDB00826 "Pentadecanoic acid" 1002-84-2 C15H30O2 242.224579 242.398 243.2318554 241.2173026 "Not Available" "Not Available" InChI=1/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17) Rumen "Organic acids" "Pentadecanoic acid" +HMDB00827 "Stearic acid" 57-11-4 C18H36O2 284.271515 284.477 285.2787914 283.2642386 C01530 STEARIC_ACID InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) Rumen "Organic acids" "Octadecanoic acid" +HMDB00863 "Isopropyl alcohol" 67-63-0 C3H8O 60.057514 60.095 61.0647904 59.0502376 "Not available" "Not Available" InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3 Rumen Alcohols propan-2-ol +HMDB00870 Histamine 51-45-6 C5H9N3 111.079643 111.145 112.0869194 110.0723666 C00388 HISTAMINE InChI=1/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) Rumen "Amino acids and Amino Acid conjugates" 2-(3H-imidazol-4-yl)ethanamine +HMDB00883 L-Valine 72-18-4 C5H11NO2 117.078979 117.146 118.0862554 116.0717026 C00183 VAL InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-amino-3-methyl-butanoic acid" +HMDB00885 CE(16:0) 601-34-3 C43H76O2 624.584534 625.062 625.5918104 623.5772576 C11251 Cholesterol-esters InChI=1/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1 Rumen "Cholesterols and derivatives" "[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate" +HMDB00892 "Valeric acid" 109-52-4 C5H10O2 102.068077 102.132 103.0753534 101.0608006 C00803 "Not Available" InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) Rumen "Organic acids" "pentanoic acid" +HMDB00904 Citrulline 372-75-8 C6H13N3O3 175.095688 175.186 176.1029644 174.0884116 C00327 L-CITRULLINE InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-amino-5-(carbamoylamino)pentanoic acid" +HMDB00918 CE(18:1(9Z)) 303-43-5 C45H78O2 650.600159 651.100 651.6074354 649.5928826 C14641 Cholesterol-esters InChI=1/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1 Rumen "Cholesterols and derivatives" "[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate" +HMDB00929 L-Tryptophan 73-22-3 C11H12N2O2 204.089874 204.225 205.0971504 203.0825976 C00078 TRP InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid" +HMDB00954 "trans-Ferulic acid" 537-98-4 C10H10O4 194.057907 194.184 195.0651834 193.0506306 "Not Available" "Not Available" InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ Rumen Alcohols "3-(4-hydroxy-3-methoxyphenyl)-prop-2-enoic acid" +HMDB00958 "trans-Aconitic acid" 4023-65-8 C6H6O6 174.016434 174.108 175.0237104 173.0091576 C02341 CPD-225 InChI=1/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+ Rumen "Organic acids" "(E)-prop-1-ene-1,2,3-tricarboxylic acid" +HMDB01088 Butyryl-CoA 2140-48-9 C25H42N7O17P3S 837.157104 837.624 838.1643804 836.1498276 C00136 CPD-12174 InChI=1/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19?,23-/m1/s1 Rumen "Nucleosides and Nucleoside conjugates" "[5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-butanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-pho<br>sphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid" +HMDB01151 Allose 6038-51-3 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C01487 D-ALLOSE-6-PHOSPHATE InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m0/s1 Rumen "Carbohydrates and Carbohydrate conjugates" 6-(hydroxymethyl)oxane-2,3,4,5-tetrol +HMDB01266 L-Sorbose 87-79-6 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00247 SORBOSE InChI=1/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1 Rumen "Carbohydrates and Carbohydrate conjugates" 2-(hydroxymethyl)oxane-2,3,4,5-tetrol +HMDB01311 "D-Lactic acid" 10326-41-7 C3H6O3 90.031693 90.078 91.0389694 89.0244166 C00256 D-LACTATE InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1 Rumen "Organic acids" "(2R)-2-hydroxypropanoic acid" +HMDB01414 Putrescine 110-60-1 C4H12N2 88.100044 88.151 89.1073204 87.0927676 C00134 PUTRESCINE InChI=1/C4H12N2/c5-3-1-2-4-6/h1-6H2 Rumen Amines butane-1,4-diamine +HMDB01429 Phosphate 14265-44-2 [PO4]3- 94.953423 94.971 95.9606994 93.9461466 C00009 CPD-8587 InChI=1/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 Rumen "Inorganic compounds" phosphate +HMDB01488 "Nicotinic acid" 59-67-6 C6H5NO2 123.032028 123.109 124.0393044 122.0247516 C00253 NIACINE InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) Rumen "Amino acids and Amino Acid conjugates" "pyridine-3-carboxylic acid" +HMDB01847 Caffeine 58-08-2 C8H10N4O2 194.080383 194.191 195.0876594 193.0731066 C07481 "Not Available" InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 Rumen "Nucleosides and Nucleoside conjugates" 1,3,7-trimethylpurine-2,6-dione +HMDB01873 "Isobutyric acid" 79-31-2 C4H8O2 88.052429 88.105 89.0597054 87.0451526 C02632 ISOBUTANOATE InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) Rumen "Organic acids" "isobutyric acid" +HMDB01882 Dihydroxyacetone 96-26-4 C3H6O3 90.031693 90.078 91.0389694 89.0244166 C00184 1-ACYL-GLYCERONE-3-PHOSPHATE InChI=1/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2 Rumen Alcohols 1,3-dihydroxypropan-2-one +HMDB02005 "Methionine sulfoxide" 62697-73-8 C5H11NO3S 165.045959 165.211 166.0532354 164.0386826 "Not Available" L-METHIONINE_SULFOXIDE InChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) Rumen "Amino acids and Amino Acid conjugates" "2-amino-4-methylsulfinyl-butanoic acid" +HMDB02322 Cadaverine 462-94-2 C5H14N2 102.115700 102.178 103.1229764 101.1084236 C01672 CADAVERINE InChI=1/C5H14N2/c6-4-2-1-3-5-7/h1-7H2 Rumen Amines pentane-1,5-diamine +HMDB02366 Tiglylcarnitine 64191-86-2 C12H21NO4 243.147064 243.299 244.1543404 242.1397876 "Not Available" "Not Available" InChI=1/C12H21NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h6,10H,7-8H2,1-5H3/b9-6+ Rumen "Amino acids and Amino Acid conjugates" "Not Available" +HMDB03081 Beta-D-Fucose 28161-52-6 C6H12O5 164.068481 164.156 165.0757574 163.0612046 C02095 "Not Available" InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (2R,3R,4S,5S,6R)-6-methyloxane-2,3,4,5-tetrol +HMDB03229 "Palmitoleic acid" 373-49-9 C16H30O2 254.224579 254.408 255.2318554 253.2173026 C08362 CPD-724 InChI=1/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- Rumen "Organic acids" "(E)-hexadec-9-enoic acid" +HMDB03339 "D-Glutamic acid" 6893-26-1 C5H9NO4 147.053162 147.129 148.0604384 146.0458856 C00217 GAMMA-GLUTAMYL-D-GLUTAMATE InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1 Rumen "Amino acids and Amino Acid conjugates" "(2R)-2-aminopentanedioic acid" +HMDB03345 Alpha-D-Glucose 492-62-6 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00267 ALPHA-GLUCOSE-16-BISPHOSPHATE InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" alpha-D-glucopyranose +HMDB03418 D-Tagatose 87-81-0 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00795 TAGATOSE InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one +HMDB03449 Beta-D-Galactose 7296-64-2 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00962 ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol +HMDB04461 Benzamide 55-21-0 C7H7NO 121.052765 121.137 122.0600414 120.0454886 C09815 SAM InChI=1/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) Rumen "Ketones and Aldehydes" benzamide +HMDB06469 "Linoleyl carnitine" 36816-10-1 C25H45NO4 423.334869 423.629 424.3421454 422.3275926 "Not Available" "Not Available" InChI=1/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9-,13-12-/t23-/m1/s1 Rumen "Amino acids and Amino Acid conjugates" "Not Available" +HMDB06725 CE(14:0) 1989-52-2 C41H72O2 596.553223 597.009 597.5604994 595.5459466 "Not Available" "Not Available" InChI=1/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1 Rumen "Cholesterols and derivatives" 1-tetradecanoyl-cholesterol +HMDB06727 CE(22:0) 61510-09-6 C49H88O2 708.678406 709.222 709.6856824 707.6711296 C02530 Cholesterol-esters InChI=1/C49H88O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h30,39-40,42-46H,7-29,31-38H2,1-6H3/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1 Rumen "Cholesterols and derivatives" 1-docosanoyl-cholesterol +HMDB06740 CE(20:0) 2573-03-7 C47H84O2 680.647156 681.169 681.6544324 679.6398796 C02530 Cholesterol-esters InChI=1/C47H84O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h28,37-38,40-44H,7-27,29-36H2,1-6H3/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1 Rumen "Cholesterols and derivatives" 1-eicosanoyl-cholesterol +HMDB06857 Dextrin 9004-53-9 C18H32O16 504.169037 504.437 505.1763134 503.1617606 C00721 "Not Available" InChI=1/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17?,18?/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" "sodium (2-hydroxy-3-octadec-9-enoyloxypropyl) hydrogen phosphate" +HMDB10169 SM(d18:1/16:0) "Not Available" C39H80N2O6P 703.575378 704.036 704.5826544 702.5681016 C00550 "Not Available" InChI=1/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/p+1/b32-30+/t37-,38+/m0/s1 Rumen Lipids 2-[[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium +HMDB10368 CE(18:0) "Not Available" C45H80O2 652.615845 653.115 653.6231214 651.6085686 C02530 Cholesterol-esters InChI=1/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3/t36-,38+,39?,40?,41?,42?,44+,45-/m1/s1 Rumen "Cholesterols and derivatives" 1-octadecanoyl-cholesterol +HMDB10372 CE(22:1(13Z)) "Not Available" C49H86O2 706.662781 707.206 707.6700574 705.6555046 "Not Available" "Not Available" InChI=1/C49H86O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h14-15,30,39-40,42-46H,7-13,16-29,31-38H2,1-6H3/b15-14-/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1 Rumen "Cholesterols and derivatives" 1-(13Z-docosenoyl)-cholesterol +HMDB10376 CE(24:0) "Not Available" C51H92O2 736.709717 737.275 737.7169934 735.7024406 "Not Available" "Not Available" InChI=1/C51H92O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-49(52)53-44-36-38-50(5)43(40-44)32-33-45-47-35-34-46(42(4)30-28-29-41(2)3)51(47,6)39-37-48(45)50/h32,41-42,44-48H,7-31,33-40H2,1-6H3/t42-,44+,45?,46?,47?,48?,50+,51-/m1/s1 Rumen "Cholesterols and derivatives" 1-tetracosanoyl-cholesterol +HMDB10383 LysoPC(16:1(9Z)) "Not Available" C24H48NO7P 493.316833 493.614 494.3241094 492.3095566 C04230 PHOSPHATIDYLCHOLINE InChI=1/C24H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h10-11,23,26H,5-9,12-22H2,1-4H3/b11-10-/t23-/m1/s1 Rumen Lipids 1-(9Z-hexadecenoyl)-glycero-3-phosphocholine +HMDB10384 LysoPC(18:0) "Not Available" C26H54NO7P 523.363770 523.683 524.3710464 522.3564936 C04230 PHOSPHATIDYLCHOLINE InChI=1/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1 Rumen Lipids 1-octadecanoyl-glycero-3-phosphocholine +HMDB10385 LysoPC(18:1(11Z)) "Not Available" C26H52NO7P 521.348145 521.667 522.3554214 520.3408686 C04230 PHOSPHATIDYLCHOLINE InChI=1/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h10-11,25,28H,5-9,12-24H2,1-4H3/b11-10-/t25-/m1/s1 Rumen Lipids 1-(11Z-octadecenoyl)-glycero-3-phosphocholine +HMDB10386 LysoPC(18:2(9Z,12Z)) "Not Available" C26H50NO7P 519.332520 519.651 520.3397964 518.3252436 C04230 PHOSPHATIDYLCHOLINE InChI=1/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1 Rumen Lipids 1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphocholine +HMDB10395 LysoPC(20:4(5Z,8Z,11Z,14Z)) "Not Available" C28H50NO7P 543.332520 543.673 544.3397964 542.3252436 C04230 PHOSPHATIDYLCHOLINE InChI=1/C28H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,15-16,18-19,27,30H,5-8,11,14,17,20-26H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t27-/m1/s1 Rumen Lipids 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycero-3-phosphocholine +HMDB12107 SM(d18:1/24:1(15Z)) "Not Available" C47H93N2O6P 812.677124 813.225 813.6844004 811.6698476 C00550 "Not Available" InChI=1/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b21-20-,40-38+/t45-,46+/m0/s1 Rumen Lipids 2-[hydroxy-[(E,2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enoyl]amino]octadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium +HMDB12108 LysoPC(17:0) "Not Available" C25H52NO7P 509.348145 509.657 510.3554214 508.3408686 C04230 "Not Available" InChI=1/C25H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26(2,3)4/h24,27H,5-23H2,1-4H3/t24-/m1/s1 Rumen Lipids 1-margaroyl-glycero-3-phosphocholine +HMDB12275 Phenylethylamine 64-04-0 C8H11N 121.089149 121.180 122.0964254 120.0818726 C05332 PHENYLETHYLAMINE InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2 Rumen "Not Available" 2-phenylethanamine +HMDB12326 L-Gulose 6027-89-0 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C15923 CPD4FS-6 InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6u/m0/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (3S,4S,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol +HMDB13125 Hydroxypropionylcarnitine "Not Available" C10H19NO5 233.126328 233.262 234.1336044 232.1190516 "Not Available" "Not Available" InChI=1/C10H19NO5/c1-11(2,3)7-8(6-9(13)14)16-10(15)4-5-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13126 Butenylcarnitine "Not Available" C11H19NO4 229.131409 229.273 230.1386854 228.1241326 "Not Available" "Not Available" InChI=1/C11H19NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h5-6,9H,7-8H2,1-4H3/b6-5+/t9-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13127 Hydroxybutyrylcarnitine "Not Available" C11H21NO5 247.141968 247.288 248.1492444 246.1346916 "Not Available" "Not Available" InChI=1/C11H21NO5/c1-8(13)5-11(16)17-9(6-10(14)15)7-12(2,3)4/h8-9,13H,5-7H2,1-4H3/t8?,9-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13128 Valerylcarnitine "Not Available" C12H23NO4 245.162704 245.315 246.1699804 244.1554276 "Not Available" "Not Available" InChI=1/C12H23NO4/c1-5-6-7-12(16)17-10(8-11(14)15)9-13(2,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13129 Glutaconylcarnitine "Not Available" C12H19NO6 273.121246 273.282 274.1285224 272.1139696 "Not Available" "Not Available" InChI=1/C12H19NO6/c1-13(2,3)8-9(7-11(16)17)19-12(18)6-4-5-10(14)15/h4,6,9H,5,7-8H2,1-3H3,(H-,14,15,16,17)/b6-4+/t9-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13133 Methylglutarylcarnitine "Not Available" C11H19NO6 261.121246 261.272 262.1285224 260.1139696 "Not Available" "Not Available" InChI=1/C11H19NO6/c1-7(10(15)16)11(17)18-8(5-9(13)14)6-12(2,3)4/h7-8H,5-6H2,1-4H3,(H-,13,14,15,16)/t7?,8-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13161 2-Hexenoylcarnitine "Not Available" C13H23NO4 257.162720 257.326 258.1699964 256.1554436 "Not Available" "Not Available" InChI=1/C13H23NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3/b8-7+ Rumen "Not Available" "Not Available" +HMDB13328 Pimelylcarnitine "Not Available" C14H25NO6 303.168182 303.351 304.1754584 302.1609056 "Not Available" "Not Available" InChI=1/C14H25NO6/c1-15(2,3)11(9-10-13(18)19)21-14(20)8-6-4-5-7-12(16)17/h11H,4-10H2,1-3H3,(H-,16,17,18,19)/t11-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13334 9,12-Hexadecadienoylcarnitine "Not Available" C23H41NO4 395.303558 395.576 396.3108344 394.2962816 "Not Available" "Not Available" InChI=1/C23H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(24(2,3)4)19-20-22(25)26/h7-8,10-11,21H,5-6,9,12-20H2,1-4H3/b8-7-,11-10-/t21-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13462 SM(d18:0/14:1(9Z)(OH)) "Not Available" C37H73N2O7P 688.515564 688.958 689.5228404 687.5082876 C00550 "Not Available" InChI=1/C37H73N2O7P/c1-6-8-10-12-14-16-17-18-19-21-23-25-27-29-36(41)35(33-46-47(43,44)45-31-30-39(3,4)5)38-37(42)32-34(40)28-26-24-22-20-15-13-11-9-7-2/h13,15,27,29,34-36,40-41H,6-12,14,16-26,28,30-33H2,1-5H3,(H-,38,42,43,44)/b15-13-,29-27+/t34?,35-,36+/m0/s1 Rumen Lipids "Not Available" +HMDB13463 SM(d18:0/16:1(9Z)(OH)) "Not Available" C39H77N2O7P 716.546814 717.012 717.5540904 715.5395376 C00550 "Not Available" InChI=1/C39H77N2O7P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(43)37(35-48-49(45,46)47-33-32-41(3,4)5)40-39(44)34-36(42)30-28-26-24-22-20-17-15-13-11-9-7-2/h17,20,29,31,36-38,42-43H,6-16,18-19,21-28,30,32-35H2,1-5H3,(H-,40,44,45,46)/b20-17-,31-29+/t36?,37-,38+/m0/s1 Rumen Lipids "Not Available" +HMDB13464 SM(d18:0/16:1(9Z)) "Not Available" C39H79N2O6P 702.567566 703.028 703.5748424 701.5602896 C00550 "Not Available" InChI=1/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,37-38,42H,6-16,18,20-36H2,1-5H3,(H-,40,43,44,45)/b19-17-/t37-,38+/m0/s1 Rumen Lipids "Not Available" +HMDB13465 SM(d18:0/20:2(11Z,14Z)) "Not Available" C43H83N2O6P 754.598877 755.103 755.6061534 753.5916006 C00550 "Not Available" InChI=1/C43H83N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,34,36,41-42,46H,6-13,15,17-19,22-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b16-14-,21-20-,36-34+/t41-,42+/m0/s1 Rumen Lipids "Not Available" +HMDB13466 SM(d18:0/22:1(13Z)(OH)) "Not Available" C45H89N2O7P 800.640747 801.171 801.6480234 799.6334706 C00550 "Not Available" InChI=1/C45H89N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-42(48)40-45(50)46-43(41-54-55(51,52)53-39-38-47(3,4)5)44(49)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h20-21,35,37,42-44,48-49H,6-19,22-34,36,38-41H2,1-5H3,(H-,46,50,51,52)/b21-20-,37-35+/t42?,43-,44+/m0/s1 Rumen Lipids "Not Available" +HMDB13467 SM(d18:0/22:2(13Z,16Z)(OH)) "Not Available" C45H87N2O7P 798.625061 799.155 799.6323374 797.6177846 C00550 "Not Available" InChI=1/C45H87N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-42(48)40-45(50)46-43(41-54-55(51,52)53-39-38-47(3,4)5)44(49)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16,20-21,35,37,42-44,48-49H,6-13,15,17-19,22-34,36,38-41H2,1-5H3,(H-,46,50,51,52)/b16-14-,21-20-,37-35+/t42?,43-,44+/m0/s1 Rumen Lipids "Not Available" +HMDB13468 SM(d18:0/22:3(10Z,13Z,16Z)) "Not Available" C45H85N2O6P 780.614502 781.140 781.6217784 779.6072256 C00550 "Not Available" InChI=1/C45H85N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,36,38,43-44,48H,6-13,15,17-19,22,25-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b16-14-,21-20-,24-23-,38-36+/t43-,44+/m0/s1 Rumen Lipids "Not Available" +HMDB13469 SM(d18:0/24:1(15Z)(OH)) "Not Available" C47H93N2O7P 828.672058 829.224 829.6793344 827.6647816 C00550 "Not Available" InChI=1/C47H93N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-44(50)42-47(52)48-45(43-56-57(53,54)55-41-40-49(3,4)5)46(51)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h20-21,37,39,44-46,50-51H,6-19,22-36,38,40-43H2,1-5H3,(H-,48,52,53,54)/b21-20-,39-37+/t44?,45-,46+/m0/s1 Rumen Lipids "Not Available"
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/conf.cfg Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,58 @@ +## Conf file for downloader_bank_hmdb.pl script +# +## Version +VERSION=1.1 +##v1.0 : Init +##V1.1 : calculating and adding [M+H]+ and [M-H]- mono isotopic mass in banks +# +## ARGVT +PROTON_MASS=1.007825 +ELECTRON_MASS=0.0005486 +#CHARGE=1 + +#LOCAL BANKS VERSIONNING +LOCALBANK_PATH=banks + +#HMDB archive url +HMDB_URL= +## Serum +SERUM_URL=http://www.hmdb.ca/system/downloads/current/serum_metabolites.zip +SERUM_FILE_NAME=serum_metabolites.xml +SERUM_HTTP_FORMAT=ZIP +SERUM_DB_FORMAT=XML +## Urine +URINE_URL=http://www.hmdb.ca/system/downloads/current/urine_metabolites.zip +URINE_FILE_NAME=urine_metabolites.xml +URINE_HTTP_FORMAT=ZIP +URINE_DB_FORMAT=XML +## Other matrices: +## CSF +CSF_URL=http://www.hmdb.ca/system/downloads/current/csf_metabolites.zip +CSF_FILE_NAME=csf_metabolites.xml +CSF_HTTP_FORMAT=ZIP +CSF_DB_FORMAT=XML +##FECES +FECES_URL=http://www.fecalmetabolome.ca/system/downloads/current/feces_metabolites.zip +FECES_FILE_NAME=feces_metabolites.xml +FECES_HTTP_FORMAT=ZIP +FECES_DB_FORMAT=XML +##SALIVA +SALIVA_URL=http://www.salivametabolome.ca/system/downloads/current/saliva_metabolites.zip +SALIVA_FILE_NAME=saliva_metabolites.xml +SALIVA_HTTP_FORMAT=ZIP +SALIVA_DB_FORMAT=XML +##RUMEN +RUMEN_URL=http://www.rumendb.ca/public/downloads/current/metabocards.gz +RUMEN_FILE_NAME=metabocards +RUMEN_HTTP_FORMAT=GZ +RUMEN_DB_FORMAT=CARD +##COW +COW_URL=http://www.cowmetdb.ca/public/downloads/current/metabocards.gz +COW_FILE_NAME=metabocards +COW_HTTP_FORMAT=GZ +COW_DB_FORMAT=CARD +##MILK +MILK_URL=http://www.mcdb.ca/system/downloads/current/milk_metabolites.zip +MILK_FILE_NAME=milk_metabolites.xml +MILK_HTTP_FORMAT=ZIP +MILK_DB_FORMAT=XML \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/downloader_bank_hmdb.pl Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,321 @@ +#!perl + +## script : downloader_bank_hmdb.pl +#============================================================================= +# Included modules and versions +#============================================================================= +## Perl modules +use strict ; +use warnings ; +use Carp qw (cluck croak carp) ; + +use Data::Dumper ; +use Getopt::Long ; +use File::Basename ; +use FindBin ; ## Allows you to locate the directory of original perl script + +## Specific Perl Modules (PFEM) +use lib $FindBin::Bin.'/lib' ; +my $binPath = $FindBin::Bin ; + +## Dedicate Perl Modules (Home made...) +use hmdb_api qw( :ALL ) ; +use utils qw( :ALL ) ; +use conf qw( :ALL ) ; +use csv qw( :ALL ) ; + +## Initialized values +my $OptHelp ; +my $VERBOSE = 3 ; +my ($bankName, $format, $outTab, $outJson) = (undef, undef, undef, undef) ; + +#============================================================================= +# Manage EXCEPTIONS +#============================================================================= +&GetOptions ( "h" => \$OptHelp, # HELP + "bank|b:s" => \$bankName, # bank name to get the rigth url + "format|f:s"=> \$format, # output format + "outTab:s" => \$outTab, # tabular output + "outJson:s" => \$outJson, # Json output + "verbose:i" => \$VERBOSE, # level of scriptt verbose [should be 1 or 3] + + + ) ; + +## if you put the option -help or -h function help is started +if ( defined($OptHelp) ){ &help ; } + +#============================================================================= +# MAIN SCRIPT +#============================================================================= + + +# get conf informations +my ( $CONF ) = ( undef ) ; +foreach my $conf ( <$binPath/*.cfg> ) { + my $oConf = conf::new() ; + $CONF = $oConf->as_conf($conf) ; +} + +# MAIN SCRIPT : + +if ( (defined $bankName) ) { + + my ( $bankUrl, $bankVersion, $bankSuffixe ) = (undef, undef, undef) ; + my ( $bankOutputTabularFile, $bankOutputJsonFile ) = (undef, undef) ; + + print "** Get version information from Wishart server databases (Canada)\n" if $VERBOSE > 1 ; + + # get information from conf + if ($CONF->{$bankName.'_URL'}) { + $bankUrl = $CONF->{$bankName.'_URL'} ; + # get version of the http resource + my $oUtils = utils->new() ; + ($bankVersion) = $oUtils->getHttpFileVersion($bankUrl) ; + + print "\tThe current version is: $bankVersion\n" if $VERBOSE > 1 ; + } + else { + croak "the given bank name ($bankName) doesn't match with any configuration parameters -- database downloading stopped" ; + } + + # manage if needed to download or not the bank (get or not the last version) + my ($bankFileExist, $bankFilePath, $bankFileDir) = (undef, undef, undef) ; + + if ($CONF->{$bankName.'_HTTP_FORMAT'}) { + $bankSuffixe = $CONF->{$bankName.'_HTTP_FORMAT'} ; + } + else { + croak "[ERROR] the given bank suffixe doesn't exist! please check your configuration parameters -- database download stopped" ; + } + + print "** Manage bank environment\n" if $VERBOSE > 1 ; + my $bankDir = $binPath.'/'.$CONF->{'LOCALBANK_PATH'} ; + if ( !-d $bankDir ) { + print "\tdir creation of $bankDir\n" if $VERBOSE > 1 ; + mkdir $bankDir ; + } + + + print "** Manage the download of the last version of the bank\n" if $VERBOSE > 1 ; + + if ( ( defined $bankUrl ) and ( defined $bankVersion ) ) { + if(-d $binPath.'/'.$CONF->{'LOCALBANK_PATH'}.'/'.$bankName.'_'.$bankVersion) { $bankFileExist = 'TRUE' ; } + else { $bankFileExist = 'FALSE' ; } + # Init the bank file name + $bankFileDir = $binPath.'/'.$CONF->{'LOCALBANK_PATH'}.'/'.$bankName.'_'.$bankVersion ; + $bankFilePath = $bankFileDir.'/'.$bankName.'_'.$bankVersion.'.'.lc($bankSuffixe) ; + # For final files (tabular/json) + $bankOutputTabularFile = $binPath.'/'.$CONF->{'LOCALBANK_PATH'}.'/'.$bankName.'_'.$bankVersion.'/'.$bankName.'_'.$bankVersion.'.tabular' ; + $bankOutputJsonFile = $binPath.'/'.$CONF->{'LOCALBANK_PATH'}.'/'.$bankName.'_'.$bankVersion.'/'.$bankName.'_'.$bankVersion.'.json' ; + + print "\tBuilding bank file dir: $bankFileDir\n" if $VERBOSE > 1 ; + print "\tBuilding bank file name: $bankFilePath\n" if $VERBOSE > 1 ; + + } + else { + croak "the given bank url ($bankUrl) and the detected version ar undef -- database download stopped" ; + } + + my $bankFile = $bankFileDir.'/'.$CONF->{$bankName.'_FILE_NAME'} ; + + # dowload the bank if does not exist ! + if ( $bankFileExist eq 'FALSE' ) { + + print "\t/!\\ The asked bank does not still exist /!\\\n" if $VERBOSE > 1 ; + if (!-d $bankFileDir) { + print "\tdir creation of $bankFileDir\n" if $VERBOSE > 1 ; + mkdir $bankFileDir ; + } + + if (-d $bankFileDir) { + print "\tDownload of the asked bank ($bankName)...\n" if $VERBOSE > 1 ; + print "\tFrom...$bankUrl\n" if $VERBOSE > 1 ; + my $oDownloader = utils->new() ; + my ($fileZip) = $oDownloader->getHttpFile($bankUrl, $bankFilePath) ; + + print "\tUnzip the download archive ($bankFilePath) and clean env ...\n" if $VERBOSE > 1 ; + + my $oUnzip = utils->new() ; + # if archive is a zip + if ($bankSuffixe eq 'ZIP') { + $oUnzip->unzipFile($bankFilePath, $bankFileDir.'/'.$CONF->{$bankName.'_FILE_NAME'}, $CONF->{$bankName.'_FILE_NAME'}) ; + $oUnzip->cleanUnzip($bankFilePath, $bankFileDir.'/'.$CONF->{$bankName.'_FILE_NAME'} ) ; + } + # elsif archive is a gz + elsif ($bankSuffixe eq 'GZ') { + $oUnzip->gunzipFile($bankFilePath, $bankFileDir.'/'.$CONF->{$bankName.'_FILE_NAME'}, $CONF->{$bankName.'_FILE_NAME'}) ; + $oUnzip->cleanUnzip($bankFilePath, $bankFileDir.'/'.$CONF->{$bankName.'_FILE_NAME'} ) ; + } + } + else { + croak "the given bank dir doesn't ($bankFileDir) exist or cannot be created - No download started\n" ; + } + } + else { + print "\t/!\\ $bankName Bank is already present on the disk... /!\\\n" if $VERBOSE > 1 ; + print "\t/!\\ ...in $bankFile /!\\\n" if $VERBOSE > 1 ; + } + + ## + if (-e $bankOutputTabularFile) { + # copy the ref file into the user history/session + my $ocsv = csv->new( ) ; + my $csv = $ocsv->get_csv_object("\t") ; + my ($refEntries, $status) = $ocsv->parse_allcsv_object($csv, \$bankOutputTabularFile, 'y') ; + $ocsv->write_csv_from_arrays($csv, $outTab, $refEntries) ; + print "\t/!\\ copy the ref file $bankOutputTabularFile into your session ($outTab)... /!\\\n" if $VERBOSE > 1 ; + } + ## the final tabular file does not exists - need to be created from xml + else { + + ## Build a HASH with all metabolites from downloaded xml + my ($handler, $metabolites, $nbEntries) = (undef, undef) ; + + if (-e $bankFile) { + my $oHandler = hmdb_api->new ; + + # in case the download file is in XML or Metabocard or SDF... + if ($CONF->{$bankName.'_DB_FORMAT'} eq 'XML') { + ($metabolites, $nbEntries) = $oHandler->getMetaboliteFeatures($bankFile) ; + print "\tExtraction of $nbEntries metabolites from $bankName XML file\n" if $VERBOSE > 1 ; + } + elsif ( ($CONF->{$bankName.'_DB_FORMAT'} eq 'CARD') ) { + ($handler, $nbEntries) = $oHandler->cowmetdb_handle($bankFile) ; + ($metabolites) = $oHandler->cowmetdb_hash($handler) ; + print "\tExtraction of $$nbEntries metabolites from $bankName CARD file\n" if $VERBOSE > 1 ; + } + else { + #TODO... + } + } + else { + print "\t/!\\ The bank does not exist: $bankFile\n" if $VERBOSE > 1 ; + } + + ## Write outputs ! + print "** Write outputs from HMDB in BiH and Json formats\n" if $VERBOSE > 1 ; + + if ( (defined $metabolites) and (defined $format) ) { + + ## Generation of M+H and M-H masses + my $ometmz = hmdb_api->new ; + my $completedMetabolites = undef ; + $completedMetabolites = $ometmz->setMetaboliteAcurrateMzToModesMz($CONF->{$bankName.'_DB_FORMAT'}, $metabolites, $CONF->{'PROTON_MASS'}, $CONF->{'ELECTRON_MASS'}, 1) ; + +# print Dumper $completedMetabolites ; + + ## tabular output + if ( ( $format eq 'tabular') and (defined $outTab) ) { + print "\tThe tabular output ($outTab) is created...\n" if $VERBOSE > 1 ; +# print Dumper $metabolites ; + # sort metabolites + my $omet = hmdb_api->new ; + my $sortedMetabolites = undef ; + + if ($CONF->{$bankName.'_DB_FORMAT'} eq 'XML') { + $sortedMetabolites = $omet->buildMetabolitesArray($completedMetabolites) ; + } + elsif ( ($CONF->{$bankName.'_DB_FORMAT'} eq 'CARD') ) { + $sortedMetabolites= $omet->cowmetdb_hash_to_inhouse_format($completedMetabolites) ; + } + + # print Dumper $sortedMetabolites ; + my $ocsv = csv->new( ) ; + my $csv = $ocsv->get_csv_object("\t") ; + # create the ref file for ./bank repo + $ocsv->write_csv_from_arrays($csv, $bankOutputTabularFile, $sortedMetabolites) ; + # generate also a copy for user history + $ocsv->write_csv_from_arrays($csv, $outTab, $sortedMetabolites) ; + + } + elsif ( (defined $format) and (defined $outJson) ) { + #TODO... + } + } + else { + croak "No metabolites are extracted from the $bankName bank file\n" ; + } + ## Clean local envt + unlink $bankFile if (-e $bankFile) ; + } +} ## END IF defined $bankName +else { + &help ; + croak "No bank name and format are defined - Please set one" ; +} + +print "\n*************!!End of the job ;-). Thank you for using W4M!!****************\n" if $VERBOSE > 1 ; +### END of main script + + + + + +#==================================================================================== +# Help subroutine called with -h option +# number of arguments : 0 +# Argument(s) : +# Return : 1 +#==================================================================================== +sub help { + print STDERR " +downloader_bank_hmdb.pl + +# downloader_bank_hmdb is a script to export specific tissue/matrix bank from HMDB source. +# Input : N/A +# Author : Franck Giacomoni +# Email : fgiacomoni\@inra.fr +# Version : 1.0 +# Created : 21/11/2018 +USAGE : + downloader_bank_hmdb.pl -bank [SERUM|URINE|CSF|...] -format [tabular|json] -outTab [tabular file name] + + "; + exit(1); +} + +## END of script - F Giacomoni + +__END__ + +=head1 NAME + + downloader_bank_hmdb.pl is a script to export specific tissue/matrix bank from HMDB source. + +=head1 USAGE + + downloader_bank_hmdb.pl -bank [serum|urine|...] -format [tabular|json] + or downloader_bank_hmdb.pl -help + +=head1 SYNOPSIS + +This script export specific tissue/matrix bank from HMDB source. + +=head1 DESCRIPTION + +This main program is a galaxy tool (W4M) allowing the export specific tissue/matrix bank from HMDB source in a tabular format. + +=over 4 + +=item B<function01> + +=item B<function02> + +=back + +=head1 AUTHOR + +Franck Giacomoni E<lt>franck.giacomoni@inra.frE<gt> + +=head1 LICENSE + +This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself. + +=head1 VERSION + +version 1 : 21 / 11 / 2018 + +version 2 : ?? + +=cut \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/downloader_bank_hmdb.xml Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,161 @@ +<tool id="downloader_bank_hmdb" name="HMDB bank downloader" version="2018.12"> + <description> + : get a specific metabolite bank (as Urine...) from HMDB web portal. + </description> + + <requirements> + <requirement type="package" version="2.161">perl-data-dumper</requirement> + <requirement type="package" version="6.15">perl-lwp-simple</requirement> + <requirement type="package" version="6.15">perl-libwww-perl</requirement> + <requirement type="package" version="1.74">perl-uri</requirement> + <requirement type="package" version="1.97">perl-text-csv</requirement> + <requirement type="package" version="3.52">perl-xml-twig</requirement> + <requirement type="package" version="1.60">perl-archive-zip</requirement> + <requirement type="package" version="2.064">perl-io-uncompress-gunzip</requirement> + </requirements> + + <stdio> + <exit_code range="1" level="fatal" /> + </stdio> + + + <command><![CDATA[ + perl $__tool_directory__/downloader_bank_hmdb.pl + -bank "$bank" + -verbose "$verbose" + -format "$bankformat" + -outTab "$outTab" + + ]]></command> + <inputs> + <param name="bank" type="select" label="What is the specific bank you want to download? " help="All banks are extracted from downloads section on HMDB web portal."> + <option value="SERUM" selected="true">Human serum</option> + <option value="URINE">Human urine</option> + <option value="CSF">Human cerebrospinal fluid</option> + <option value="FECES">Human feces</option> + <option value="SALIVA">Human saliva</option> + <option value="COW">Bovine</option> + <option value="RUMEN">Bovine rumen</option> + <option value="MILK">Bovine milk</option> + </param> + <param name="bankformat" type="select" label="Which output format do you need? " help="Proposed formats are lighter than downloaded raw files and adapted to annotation tools."> + <option value="tabular" selected="true">tabular (for BiH tool)</option> + <!--<option value="json">json (still in construction)</option>--> + </param> + <param name="verbose" type="select" label="Level of script verbose " help="Information about script running."> + <option value="1" selected="true">low</option> + <option value="3">high</option> + </param> + </inputs> + + <outputs> + <data name="outTab" format="tabular" label="REF_HMDB_${bank}.tabular"/> + <!--<data name="outJson" format="json" label="REF_HMDB_${bank}.json"/>--> + </outputs> + + <tests> + <test> + <!--test 01 CSF download and produce a simple tabular --> + <param name="bank" value="CSF"/> + <param name="bankformat" value="tabular"/> + <param name="verbose" value="1"/> + <output name="outTab" file="out01.tabular"/> + </test> + </tests> + + <help><![CDATA[ + +.. class:: infomark + +**Authors** Charlotte Joly, Delphine Centeno and Franck Giacomoni + +--------------------------------------------------- + +.. class:: infomark + +**Please cite** If you use this tool, please add the following reference + | Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, et al., HMDB 4.0 — The Human Metabolome Database for 2018. Nucleic Acids Res. 2018. Jan 4;46(D1):D608-17. + + +--------------------------------------------------- + +==================== +HMDB bank downloader +==================== + +----------- +Description +----------- + + | Download a bank containing information (like : HMDB id, Name, mz, inchikey) + | from HMDB online web portal and convert it into W4M annotation tool input formats. + | + + +----------------- +Workflow position +----------------- + + +.. image:: ./static/images/metabolomics/hmdb.png + :width: 800 + + + +---------- +Parameters +---------- + +What is the specific bank you want to download + | Choose whether specific metabolite banks: + | Urine + | Serum + | cerebrospinal fluid + | ... + | + + +Which output format do you need + | tabular : for W4M BiH annotation tool as example + | json : still in construction + | + + + +------------ +Output files +------------ + +Two types of files + | REF_HMDB_BANKNAME.tabular: for W4M BiH annotation tool as example + | + | REF_HMDB_BANKNAME.json: for linking with others modules. + | + +--------------------------------------------------- + + +--------------- +Working example +--------------- + + +.. class:: warningmark + +Refer to the corresponding W4M HowTo section: http://workflow4metabolomics.org/howto + | Format Data For Postprocessing + | Perform LCMS Annotations + +.. class:: warningmark + +And their "W4M courses 2018": + | Using Galaxy4Metabolomics - W4M table format for Galaxy + | Annotation Banks - Annotation + + + ]]></help> + <!-- [RECOMMANDED] All citations associated to this tool (main citation given above and other references). Can be extracted from the history panel --> + <citations> + <citation type="doi">10.1093/nar/gkx1089</citation> + </citations> +</tool> \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/lib/conf.pm Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,259 @@ +package conf ; + +use strict; +use warnings ; +use Exporter ; +use Carp ; +use Data::Dumper ; + +use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS); + +our $VERSION = "1.0" ; +our @ISA = qw(Exporter) ; +our @EXPORT = qw( as_conf get_value_from_conf check_path_and_file ) ; +our %EXPORT_TAGS = ( ALL => [qw( as_conf get_value_from_conf )] ) ; + +=head1 NAME + +conf - A module for manage pfem conf file + +=head1 SYNOPSIS + + use conf ; + my $object = conf->new() ; + +=head1 DESCRIPTION + +This module does manage conf file (extract all or selected fields) + +=head1 METHODS + +Methods are : + +=head2 METHOD new + + ## Description : new + ## Input : $self + ## Ouput : bless $self ; + ## Usage : new() ; + +=cut +## START of SUB +sub new { + ## Variables + my $self={}; + bless($self) ; + return $self ; +} +### END of SUB + +=head2 METHOD as_conf + + ## Description : permet de creer l'object conf a partir d'un fichier de conf de type KEY=VALUE + ## Input : $file + ## Ouput : $oConf (a hash) + ## Usage : my ( $oConf ) = as_conf( $file ) ; + +=cut +## START of SUB +sub as_conf { + ## Retrieve Values + my $self = shift ; + my ( $file, $separator ) = @_ ; + +# if (!defined $separator) { $separator = ';' } ## set separator to ; + + if ( !defined $file ) { croak "Can't create object with an none defined file\n" ; } + + my %Conf = () ; ## Hash devant contenir l'ensemble des parametres locaux + + if (-e $file) { + open (CFG, "<$file") or die "Can't open $file\n" ; + while (<CFG>) { + chomp $_ ; + if ( $_ =~ /^#(.*)/) { next ; } + elsif ($_ =~/^(\w+?)=(.*)/) { ## ALPHANUMERIC OR UNDERSCORE ONLY FOR THE KEY AND ANYTHING ELSE FOR VALUE + + my ($key, $value) = ($1, $2) ; + + if (defined $separator) { + if ( $value=~/$separator/ ) { ## is a list to split + my @tmp = split(/$separator/ , $value) ; + $Conf{$key} = \@tmp ; + } + } + else { + $Conf{$key} = $value ; + } + } + } + close(CFG) ; + } + else { + croak "Can't create object with an none existing file\n" ; + } + + return ( \%Conf ) ; +} +## END of SUB + +=head2 METHOD as_conf_list + + ## Description : permet de charger une liste txt en array + ## Input : $file + ## Output : elements + ## Usage : my ( elements ) = as_conf_list( $conf_file ) ; + +=cut +## START of SUB +sub as_conf_list { + ## Retrieve Values + my $self = shift ; + my ( $file ) = @_ ; + + my @elements = () ; + if ( !defined $file ) { croak "Can't create object with an none defined file\n" ; } + + if (-e $file) { + open (CFG, "<$file") or die "Can't open $file\n" ; + while (<CFG>) { + chomp $_ ; + if ( $_ =~ /^#(.*)/) { next ; } + elsif ($_ =~/^(.*)/) { if (defined $1) { push (@elements, $1) ; } } + } + } + else { + croak "Can't create object with an none existing file\n" ; + } + return(\@elements) ; +} +## END of SUB + +=head2 METHOD get_value_from_conf + + ## Description : permet de retourner une valeur du hash de conf a partir d'une key + ## Input : $oConf, $Key + ## Ouput : $Value + ## Usage : my ( $Value ) = get_value_from_conf( $oConf, $Key ) ; + +=cut +## START of SUB +sub get_value_from_conf { + ## Retrieve Values + my $self = shift ; + my ( $oConf, $Key ) = @_ ; + + my $Value = undef ; + + if ( defined $oConf ) { + if ( defined $oConf->{$Key} ) { + $Value = $oConf->{$Key} ; + } + } + else { + croak "Can't manage value with undefined object\n" ; + } + return($Value) ; +} +## END of SUB + +=head2 METHOD get_value_from_conf + + ## Description : permet de retourner une valeur du hash de conf a partir d'une key + ## Input : $oConf, $Key + ## Ouput : $Value + ## Usage : my ( $Value ) = get_value_from_conf( $oConf, $Key ) ; + +=cut +## START of SUB +sub split_value_from_conf { + ## Retrieve Values + my $self = shift ; + my ( $oConf, $Key, $sep ) = @_ ; + + my $value = undef ; + my @values = () ; + + if ( defined $oConf ) { + if ( defined $oConf->{$Key} ) { + $value = $oConf->{$Key} ; + @values = split ( /$sep/, $value) ; + } + } + else { + croak "Can't manage value with undefined object\n" ; + } + return(\@values) ; +} +## END of SUB + + +=head2 METHOD check_path_and_file + + ## Description : permet de verifier les path et la presence des exe decrits dans le file conf. Bloque le script en cas de probleme + ## Input : $oConfs + ## Ouput : NA + ## Usage : &get_value_from_conf( $oConf ) ; + +=cut +## START of SUB +sub check_path_and_file { + + my $self = shift ; + my ( $oConfs ) = @_ ; + + foreach my $conf ( keys %{ $oConfs } ) { + if ( $conf =~ /^FILE/ ) { + if ( -e $oConfs->{$conf} ) { + if ( -s $oConfs->{$conf} ) { next ; } + else { carp "[Warning] : The size of file $oConfs->{$conf} is null\n" ; } + } + else { + carp "[Warning] : The file $oConfs->{$conf} doesn't exist\n" ; + } + } + elsif ( $conf =~ /^PATH/ ) { + if ( -d $oConfs->{$conf} ) { next ; } + else { carp "[Warning] : The dir $oConfs->{$conf} doesn't exist\n" ; } + } + else { next ; } + } + return ; +} +## END of SUB + +1 ; + + +__END__ + +=head1 SUPPORT + +You can find documentation for this module with the perldoc command. + + perldoc conf.pm + + +=head1 Exports + +=over 4 + +=item :ALL is as_conf get_value_from_conf + +=back + +=head1 AUTHOR + +Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt> + +=head1 LICENSE + +This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself. + +=head1 VERSION + +version 1 : 10 / 02 / 2013 + +version 2 : 15 / 12 / 2015 + +=cut \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/lib/csv.pm Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,240 @@ +package csv ; + +use strict; +use warnings ; +use Exporter ; +use Carp ; + +use Text::CSV ; + +use Data::Dumper ; + +use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS); + +our $VERSION = "1.0"; +our @ISA = qw(Exporter); +our @EXPORT = qw( get_csv_object get_value_from_csv_multi_header write_csv_from_hash); +our %EXPORT_TAGS = ( ALL => [qw( get_csv_object get_value_from_csv_multi_header write_csv_from_hash )] ); + +=head1 NAME + +My::Module - An example module + +=head1 SYNOPSIS + + use My::Module; + my $object = My::Module->new(); + print $object->as_string; + +=head1 DESCRIPTION + +This module does not really exist, it +was made for the sole purpose of +demonstrating how POD works. + +=head1 METHODS + +Methods are : + +=head2 METHOD new + + ## Description : new + ## Input : $self + ## Ouput : bless $self ; + ## Usage : new() ; + +=cut + +sub new { + ## Variables + my $self={}; + bless($self) ; + return $self ; +} +### END of SUB + +=head2 METHOD get_csv_object + + ## Description : builds a csv object and etablishes format + ## Input : $separator + ## Output : $csv + ## Usage : my ( $csv ) = get_csv_object( $separator ) ; + +=cut +## START of SUB +sub get_csv_object { + ## Retrieve Values + my $self = shift ; + my ( $separator ) = @_ ; + +# my $csv = Text::CSV->new({'sep_char' => "$separator"}); + my $csv = Text::CSV->new ( {'sep_char' => "$separator", binary => 1 } ) # should set binary attribute. + or die "Cannot use CSV: ".Text::CSV->error_diag (); + + return($csv) ; +} +## END of SUB + +=head2 METHOD get_value_from_csv_multi_header + + ## Description : extract a targeted column in a csv file + ## Input : $csv, $file, $column, $is_header, $nb_header + ## Output : $value + ## Usage : my ( $value ) = get_value_from_csv_multi_header( $csv, $file, $column, $is_header, $nb_header ) ; + +=cut +## START of SUB +sub get_value_from_csv_multi_header { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file, $column, $is_header, $nb_header ) = @_ ; + + my @value = () ; + + ## Adapte the number of the colunm : (nb of column to position in array) + $column = $column - 1 ; + + open (CSV, "<", $file) or die $! ; + + my $line = 0 ; + + while (<CSV>) { + $line++ ; + chomp $_ ; + # file has a header + if ( defined $is_header and $is_header eq 'yes') { if ($line <= $nb_header) { next ; } } + # parsing the targeted column + if ( $csv->parse($_) ) { + my @columns = $csv->fields(); + push ( @value, $columns[$column] ) ; + } + else { + my $err = $csv->error_input; + die "Failed to parse line: $err"; + } + } + close CSV; + return(\@value) ; +} +## END of SUB + +=head2 METHOD parse_csv_object + + ## Description : parse_all csv object and return a array of rows + ## Input : $csv, $file + ## Output : $csv_matrix + ## Usage : my ( $csv_matrix ) = parse_csv_object( $csv, $file ) ; + +=cut +## START of SUB +sub parse_csv_object { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file ) = @_ ; + + my @csv_matrix = () ; + + open my $fh, "<:encoding(utf8)", $$file or die "Can't open csv file $$file: $!"; + + while ( my $row = $csv->getline( $fh ) ) { + push @csv_matrix, $row; + } + $csv->eof or $csv->error_diag(); + close $fh; + + return(\@csv_matrix) ; +} +## END of SUB + +=head2 METHOD parse_allcsv_object + + ## Description : parse_all csv object and return a array of rows with or without header + ## Input : $csv, $file, $keep_header + ## Output : $csv_matrix + ## Usage : my ( $csv_matrix ) = parse_csv_object( $csv, $file, $keep_header ) ; + +=cut +## START of SUB +sub parse_allcsv_object { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file, $keep_header ) = @_ ; + + my @csv_matrix = () ; + my $line = 1 ; + + open my $fh, "<:encoding(utf8)", $$file or die "Can't open csv file $$file: $!"; + + while ( my $row = $csv->getline( $fh ) ) { + if ( ( $keep_header eq 'n' ) and ($line == 1) ) { } + else { push @csv_matrix, $row; } + $line ++ ; + } + my $status = $csv->eof or $csv->error_diag(); + close $fh; + + return(\@csv_matrix, $status) ; +} +## END of SUB + + +=head2 METHOD write_csv_from_arrays + + ## Description : write a csv file from list of rows + ## Input : $csv, $file_name, $rows + ## Output : $csv_file + ## Usage : my ( $csv_file ) = write_csv_from_arrays( $csv, $file_name, $rows ) ; + +=cut +## START of SUB +sub write_csv_from_arrays { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file_name, $rows ) = @_ ; + + my $fh = undef ; + $csv->eol ("\n"); ## end-of-line string to add to rows +# $csv->quote_char(undef) ; + open $fh, ">:encoding(utf8)", "$file_name" or die "$file_name: $!"; + + my $status = $csv->print ($fh, $_) for @{$rows}; + close $fh or die "$file_name: $!"; + + return(\$file_name) ; +} +## END of SUB + +1 ; + + +__END__ + +=head1 SUPPORT + +You can find documentation for this module with the perldoc command. + + perldoc csv.pm + +=head1 Exports + +=over 4 + +=item :ALL is get_csv_object, get_value_from_csv_multi_header + +=back + +=head1 AUTHOR + +Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt> + +=head1 LICENSE + +This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself. + +=head1 VERSION + +version 1 : 23 / 10 / 2013 + +version 2 : ?? + +=cut \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/lib/hmdb_api.pm Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,342 @@ +package hmdb_api ; + +use strict; +use warnings ; +use Exporter ; +use Carp ; + +use Data::Dumper ; +use XML::Twig ; + +use csv ; + +use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS); + +our $VERSION = "1.0"; +our @ISA = qw(Exporter); +our @EXPORT = qw( getMetaboliteFeatures cowmetdb_handle cowmetdb_hash cowmetdb_hash_to_inhouse_format buildMetabolitesArray setMetaboliteAcurrateMzToModesMz); +our %EXPORT_TAGS = ( ALL => [qw( getMetaboliteFeatures cowmetdb_handle cowmetdb_hash cowmetdb_hash_to_inhouse_format buildMetabolitesArray setMetaboliteAcurrateMzToModesMz)] ); + +=head1 NAME + +My::Module - An example module + +=head1 SYNOPSIS + + use My::Module; + my $object = My::Module->new(); + print $object->as_string; + +=head1 DESCRIPTION + +This module does not really exist, it +was made for the sole purpose of +demonstrating how POD works. + +=head1 METHODS + +Methods are : + +=head2 METHOD new + + ## Description : new + ## Input : $self + ## Ouput : bless $self ; + ## Usage : new() ; + +=cut + +sub new { + ## Variables + my $self={}; + bless($self) ; + return $self ; +} +### END of SUB + + +=head2 METHOD cowmetdb_handle + + ## Description : open a flat file and push the contains in memory - compute entries number. + ## Input : $flat + ## Output : $handler, $entries + ## Usage : my ( $handler ) = cowmetdb_handle( $flat ) ; + +=cut +## START of SUB +sub cowmetdb_handle { + ## Retrieve Values + my $self = shift ; + my ( $flat ) = @_ ; + + my @handle = () ; + my $entries = 0 ; + my ( $begin, $end ) = ( 0, 0 ) ; + + if ( -e $flat ) { + open(FILE, "<$flat") or die "Cant' read the file $flat\n" ; + while (my $line = <FILE>){ + chomp $line ; + push(@handle, $line) ; + if ( $line =~ /^#BEGIN_METABOCARD/ ) { $begin = 1 ; } + elsif ( ( $line =~ /^#END_METABOCARD/ ) and ( $begin == 1 ) ){ $end = 1 ; } + ## count entries + if ( ( $end == 1 ) and ( $begin == 1 ) ){ $entries++ ; ( $begin, $end ) = ( 0, 0 ) ; } + } + close(FILE) ; + } + else { + croak "Can't find the source file $flat\n" ; + } + + return(\@handle, \$entries) ; +} +## END of SUB + +=head2 METHOD cowmetdb_hash + + ## Description : work on a hmdb flat text handler and field data (selected fields), build a hash for each found entry + ## Input : $handler + ## Output : $entries + ## Usage : my ( $entries ) = hmdb_hash( $handler ) ; + +=cut +## START of SUB +sub cowmetdb_hash { + ## Retrieve Values + my $self = shift ; + my ( $handle ) = @_ ; + + my @entries = () ; + my %entry = () ; + my $pos = 0 ; + + if ( ( defined $handle ) ) { + foreach my $data ( @$handle ) { + + if( $data =~ /^#BEGIN_METABOCARD/ ) { %entry = () ; } + elsif( $data =~ /^#END_METABOCARD/ ) { my %temp = %entry ; push (@entries, \%temp) ; } + elsif( $data =~ /^# name:/ ) { $entry{'COMMON_NAME'} = $handle->[$pos+1] ; } + elsif( $data =~ /^# iupac:/ ) { $entry{'IUPAC'} = $handle->[$pos+1] ; } + elsif( $data =~ /^# kegg_compound_id:/ ) { $entry{'KEGG_ID'} = $handle->[$pos+1] ; } + elsif( $data =~ /^# chemical_formula:/ ) { $entry{'FORMULA'} = $handle->[$pos+1] ; } + elsif( $data =~ /^# taxonomy_super_class:/ ) { $entry{'TAXONOMY'} = $handle->[$pos+1] ; } + elsif( $data =~ /^# cas_number:/ ) { $entry{'CAS'} = $handle->[$pos+1] ; } + elsif( $data =~ /^# biofluid_location:/ ) { $entry{'LOCATION'} = $handle->[$pos+1] ; } + elsif( $data =~ /^# inchi_identifier:/ ) { $entry{'INCHI'} = $handle->[$pos+1] ; } + elsif( $data =~ /^# weight_average:/ ) { $entry{'MZ_AVERAGE'} = $handle->[$pos+1] ; } + elsif( $data =~ /^# weight_mono:/ ) { $entry{'MZ_MONO'} = $handle->[$pos+1] ; } + elsif( $data =~ /^# biocyc_id:/ ) { $entry{'BIOCYC_ID'} = $handle->[$pos+1] ; } + elsif( $data =~ /^# hmdb_id:/ ) { $entry{'HMDB_ID'} = $handle->[$pos+1] ; } + + $pos++ ; + } + } + else { + croak "Handle is not defined : parsing step impossible\n" ; + } + + return(\@entries) ; +} +## END of SUB + + + +=head2 METHOD getMetaboliteFeatures + + ## Description : get metabolites features from a xml file + ## Input : $xmlFile, + ## Output : $metabolites + ## Usage : $metabolites = getMetaboliteFeatures($xmlFile) ; + +=cut +sub getMetaboliteFeatures { + ## Retrieve Values + my $self = shift ; + my ( $xmlFile ) = @_ ; + + my %metabolites = () ; + my $twig = undef ; + my $id = undef ; + + if (-e $xmlFile) { + + $twig = XML::Twig->nparse_ppe( + + twig_handlers => { + 'metabolite/accession' => sub {$id = $_ -> text_only ; $metabolites{$id} = undef ; } , + # metabolite name + 'metabolite/name' => sub { $metabolites{$id}{'metabolite_name'} = $_ -> text_only ; } , + # metabolite chemical_formula + 'metabolite/chemical_formula' => sub { $metabolites{$id}{'chemical_formula'} = $_ -> text_only ; } , + # metabolite monisotopic_molecular_weight + 'metabolite/monisotopic_molecular_weight' => sub { $metabolites{$id}{'monisotopic_molecular_weight'} = $_ -> text_only ; } , ## general case + 'metabolite/monisotopic_moleculate_weight' => sub { $metabolites{$id}{'monisotopic_molecular_weight'} = $_ -> text_only ; } , ## + # metabolite inchikey + 'metabolite/inchikey' => sub { $metabolites{$id}{'inchikey'} = $_ -> text_only ; } , + }, + pretty_print => 'indented', + error_context => 1, $xmlFile + ); + +# $twig->print; + $twig->purge ; + } + + ## get number of entries: + my $X = keys %metabolites ; + + return (\%metabolites, $X) ; + + +} +### END of SUB + +=head2 METHOD setMetaboliteAcurrateMzToModesMz + + ## Description : set M+H and M-H masses from a metabolite (M) accurate mass + ## Input : $metabolites, $proton_mass, $electron_mass + ## Output : $mzsMetabolites + ## Usage : my ( $mzsMetabolites ) = setMetaboliteAcurrateMzToModesMz ( $metabolites, $proton_mass, $electron_mass ) ; + +=cut +## START of SUB +sub setMetaboliteAcurrateMzToModesMz { + ## Retrieve Values + my $self = shift ; + my ( $format, $metabolites, $proton_mass, $electron_mass, $charge ) = @_; + + if ($format eq 'XML') { + foreach my $id (sort keys %{$metabolites}) { + if ( $metabolites->{$id}{'monisotopic_molecular_weight'} ) { + my $tmp_mass = $metabolites->{$id}{'monisotopic_molecular_weight'} ; + $metabolites->{$id}{'[M+H]+'} = ( $tmp_mass + $proton_mass - $electron_mass) * $charge ; + $metabolites->{$id}{'[M-H]-'} = ( $tmp_mass - $proton_mass + $electron_mass) * $charge ; + } + else { + warn "No monisotopic_molecular_weight field exists with metabolite $id\n " ; + } + } + } + elsif ( ($format eq 'CARD') ) { + foreach my $entry (@$metabolites) { + if ( $entry->{'MZ_MONO'} ) { + my $tmp_mass = $entry->{'MZ_MONO'} ; + $entry->{'MZ_[M+H]+'} = ( $tmp_mass + $proton_mass - $electron_mass) * $charge ; + $entry->{'MZ_[M-H]-'} = ( $tmp_mass - $proton_mass + $electron_mass) * $charge ; + } + else { + warn "No MZ_MONO field exists with metabolite $entry->{'HMDB_ID'}\n " ; + } + } + } + + + return ($metabolites) ; +} +### END of SUB + +=head2 METHOD buildMetabolitesArray + + ## Description : build a metabolite list from xml extraction + ## Input : $metabolites, $headers + ## Output : $metabolitesSorted + ## Usage : my ( $metabolitesSorted ) = buildMetabolitesArray ( $metabolites, $headers ) ; + +=cut +## START of SUB +sub buildMetabolitesArray { + ## Retrieve Values + my $self = shift ; + my ( $metabolites, $headers ) = @_; + my ( @metabolitesSorted ) = ( () ) ; + + ## header format is ['HMDB_ID','MzBank', 'MetName', 'ChemFormula', 'INChIkey'] + if (defined $headers) { + push ( @metabolitesSorted, $headers ) ; + } + else { + push ( @metabolitesSorted, ['HMDB_ID','MzBank', '[M+H]+', '[M-H]-', 'MetName', 'ChemFormula', 'INChIkey'] ) ; + } + + foreach my $id (sort keys %{$metabolites}) { + my @tmp = () ; + push (@tmp, $id) ; + push (@tmp, $metabolites->{$id}{'monisotopic_molecular_weight'}) ; + push (@tmp, $metabolites->{$id}{'[M+H]+'}) ; + push (@tmp, $metabolites->{$id}{'[M-H]-'}) ; + push (@tmp, $metabolites->{$id}{'metabolite_name'}) ; + push (@tmp, $metabolites->{$id}{'chemical_formula'}) ; + push (@tmp, $metabolites->{$id}{'inchikey'}) ; + + # merge + push (@metabolitesSorted, \@tmp) ; + } + + return (\@metabolitesSorted) ; +} +### END of SUB + +=head2 METHOD cowmetdb_hash_to_inhouse_format + + ## Description : adaptator from hash cowmetdb entry to inhouse format + ## Input : $entries + ## Output : $tsv_handler + ## Usage : my ( $tsv_handler ) = cowmetdb_hash_to_inhouse_format( $entries ) ; + +=cut +## START of SUB +sub cowmetdb_hash_to_inhouse_format { + ## Retrieve Values + my $self = shift ; + my ( $entries ) = @_ ; + + my @fields_name = ('HMDB_ID', 'COMMON_NAME', 'CAS', 'FORMULA', 'MZ_MONO', 'MZ_AVERAGE', 'MZ_[M+H]+', 'MZ_[M-H]-', 'KEGG_ID', 'BIOCYC_ID', 'INCHI', 'LOCATION', 'TAXONOMY', 'IUPAC') ; + my @tsv_handler = () ; + push (@tsv_handler, \@fields_name) ; ## first line + + foreach my $entry (@$entries) { + my @tmp = ( $entry->{'HMDB_ID'}, $entry->{'COMMON_NAME'}, $entry->{'CAS'}, $entry->{'FORMULA'}, $entry->{'MZ_MONO'}, $entry->{'MZ_AVERAGE'}, $entry->{'MZ_[M+H]+'}, $entry->{'MZ_[M-H]-'}, $entry->{'KEGG_ID'}, $entry->{'BIOCYC_ID'}, + $entry->{'INCHI'}, $entry->{'LOCATION'}, $entry->{'TAXONOMY'}, $entry->{'IUPAC'} ) ; + push (@tsv_handler, \@tmp) ; ## one entry by one line + } + + return(\@tsv_handler) ; +} +## END of SUB + + +1 ; + + +__END__ + +=head1 SUPPORT + +You can find documentation for this module with the perldoc command. + + perldoc XXX.pm + +=head1 Exports + +=over 4 + +=item :ALL is ... + +=back + +=head1 AUTHOR + +Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt> + +=head1 LICENSE + +This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself. + +=head1 VERSION + +version 1 : xx / xx / 201x + +version 2 : ?? + +=cut \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/lib/utils.pm Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,256 @@ +package utils ; + +use strict; +use warnings ; +use Exporter ; +use Carp ; + +use Data::Dumper ; +use LWP::UserAgent ; +use LWP::Simple ; +use HTTP::Status qw(:constants :is status_message); +use Archive::Zip ; +use IO::Uncompress::Gunzip qw(gunzip $GunzipError) ; + +use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS); + +our $VERSION = "1.0"; +our @ISA = qw(Exporter); +our @EXPORT = qw( getHttpFileVersion getHttpFile unzipFile ); +our %EXPORT_TAGS = ( ALL => [qw( getHttpFileVersion getHttpFile unzipFile )] ); + +=head1 NAME + +My::Module - An example module + +=head1 SYNOPSIS + + use My::Module; + my $object = My::Module->new(); + print $object->as_string; + +=head1 DESCRIPTION + +This module does not really exist, it +was made for the sole purpose of +demonstrating how POD works. + +=head1 METHODS + +Methods are : + +=head2 METHOD new + + ## Description : new + ## Input : $self + ## Ouput : bless $self ; + ## Usage : new() ; + +=cut + +sub new { + ## Variables + my $self={}; + bless($self) ; + return $self ; +} +### END of SUB + +=head2 METHOD getHttpFileVersion + + ## Description : fetch the version of a file from its http header + ## Input : $url + ## Output : $version + ## Usage : $version= getHttpFileVersion($url) ; + +=cut +## START of SUB +sub getHttpFileVersion { + ## Retrieve Values + my $self = shift ; + my ( $url ) = @_ ; + + my ( $version ) = undef ; + + # based on https://stackoverflow.com/questions/36903905/extract-headers-from-http-request-in-perl + my $ua = new LWP::UserAgent; + my $result = $ua->head($url); + + for my $header_name ($result->header_field_names) { + + if ($header_name eq 'Last-Modified') { +# print $result->header($header_name)."\n"; + if ($result->header($header_name) =~/[a-z|A-Z]+,\s(.*)\s[0-9]+:[0-9]+:[0-9]+\s[a-z|A-Z]+$/) { + $version = $1 ; + + #version format is DD Month(3letters) YYYY (as "09 Jul 2018") + if ($version =~/([0-9]+)\s([a-z|A-Z]+)\s([0-9]+)/) { + $version = 'v'.$3.$2.$1 ; + } + else{ + warn "the current version format - DD Month(3letters) YYYY - doesn't match with template" ; + } + } + } + else { + next ; + } +# print $version ; + } + + return($version) ; +} +## END of SUB + +=head2 METHOD getHttpFile + + ## Description : fetch a file from http + ## Input : $url, $filename + ## Output : $file + ## Usage : $file= getHttpFile($url, $filename) ; + +=cut +## START of SUB +sub getHttpFile { + ## Retrieve Values + my $self = shift ; + my ( $url, $fileNameToGet ) = @_ ; + + my ( $fileName ) = undef ; + + if ( (defined $url ) and (defined $fileNameToGet ) ) { + my $ua = LWP::UserAgent->new(); + my $hstatus = getstore ($url, $fileNameToGet); + + if($hstatus != HTTP_OK) { + print "$hstatus: ", status_message($hstatus), "\n"; + } + + if (!-e $fileNameToGet) { + croak "None file (should be $fileNameToGet) was download from the given url($url)\n" ; + } + } + + return(1) ; +} +## END of SUB + +=head2 METHOD unzipFile + + ## Description : unzip a wanted file from a zip archive + ## Input : $archive, $filePath, $fileName + ## Output : 1 + ## Usage : unzipFile($archive, $filePath, $fileName) ; + +=cut +sub unzipFile { + ## Retrieve Values + my $self = shift ; + my ($archive, $filePath, $fileName) = @_ ; + + my $zip = Archive::Zip->new($archive); + + if ( (defined $fileName) and (defined $filePath) ) { + + foreach my $file ($zip->members) { + next unless ($file->fileName eq $fileName); + $file->extractToFileNamed($filePath); + } + + croak "There was a problem extracting $fileName from $archive" unless (-e $filePath); + } + else { + croak "the given filePath or the filename are undef\n" ; + } + + return 1; +} +## END of SUB + +=head2 METHOD gunzipFile + + ## Description : unzip a wanted file from a zip archive + ## Input : $archive, $filePath, $fileName + ## Output : 1 + ## Usage : gunzipFile($archive, $filePath, $fileName) ; + +=cut +sub gunzipFile { + ## Retrieve Values + my $self = shift ; + my ($archive, $filePath, $fileName) = @_ ; + + if ( (defined $fileName) and (defined $filePath) ) { + + gunzip $archive => $filePath + or die "gunzip failed: $GunzipError\n"; + } + else { + croak "the given filePath or the filename are undef\n" ; + } + + return 1; +} +## END of SUB + + +=head2 METHOD cleanUnzip + + ## Description : clean zip file if the unzip is successfully run + ## Input : $archive, $filePath + ## Output : 1 + ## Usage : unzipFile($archive, $want, $dir) ; + +=cut +sub cleanUnzip { + ## Retrieve Values + my $self = shift ; + my ($archive, $filePath ) = @_ ; + + if ( (defined $archive) and (defined $filePath) ) { + + croak "There was a problem extracting $filePath from $archive" unless (-e $filePath); + unlink $archive ; + } + else { + croak "Given filePath or the archive are undef\n" ; + } + + return 1; +} +## END of SUB + +1 ; + + +__END__ + +=head1 SUPPORT + +You can find documentation for this module with the perldoc command. + + perldoc XXX.pm + +=head1 Exports + +=over 4 + +=item :ALL is ... + +=back + +=head1 AUTHOR + +Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt> + +=head1 LICENSE + +This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself. + +=head1 VERSION + +version 1 : xx / xx / 201x + +version 2 : ?? + +=cut \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/t/downloader_bank_hmdb.t Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,227 @@ +#! perl +use diagnostics; +use warnings; +no warnings qw/void/; +use strict; +no strict "refs" ; +use Test::More qw( no_plan ); +#use Test::More tests => 8 ; ## with MAPPER SEQUENCE +use FindBin ; +use Carp ; + +## Specific Modules +use lib $FindBin::Bin.'/lib' ; +my $binPath = $FindBin::Bin ; +use utilsTest qw( :ALL ) ; +use hmdb_apiTest qw( :ALL ) ; + + +## If needed to launch parallele test sequences : SEQ01, SEQ02, SEQ03, ... +my $sequence = 'SEQ02' ; +my $current_test = 1 ; + +#### #### ##### ###### ################################################ ###### ##### ##### ###### ###### + + ## START of SEQ01 SEQUENCE ## + +#### #### ##### ###### ################################################ ###### ##### ##### ###### ###### + +if ($sequence eq "SEQ01") { + + print "\n\t\t\t\t * * * * * * \n" ; + print "\t * * * - - - Test module utils - - - * * * \n\n" ; + + ## - - - - - - - - - - - - - - - - - - NEXT - - - - - - - - - - - - - - - - - - - - + # ARGVTS : $argt1, ... + sleep 1 ; print "\n** Test $current_test getHttpFileVersion with a valid url **\n" ; $current_test++ ; + is_deeply( getHttpFileVersionTest ( ## input parameters : here only one argt + 'http://www.hmdb.ca/system/downloads/current/urine_metabolites.zip', + ), + 'v2018Jul09', + 'Method \'getHttpFileVersion\' works with a valid url and return the attended output'); + + + ## - - - - - - - - - - - - - - - - - - - NEXT - - - - - - - - - - - - - - - - - - - + # ARGVTS : $argt1, ... + sleep 1 ; print "\n** Test $current_test getHttpFile with a valid url and fileName **\n" ; $current_test++ ; + is_deeply( getHttpFileTest ( ## input parameters : here only one argt + 'http://www.hmdb.ca/system/downloads/current/csf_metabolites.zip', + '/tmp/CSF_v2018Jul09/CSF_v2018Jul09.zip' + ), + 1, + 'Method \'getHttpFile\' works with a valid url and a file name and return the attended output (a file)'); + + + ## - - - - - - - - - - - - - - - - - - - NEXT - - - - - - - - - - - - - - - - - - - + # ARGVTS : $argt1, ... + sleep 1 ; print "\n** Test $current_test unzipFile with a valid url, a dir and fileName **\n" ; $current_test++ ; + is_deeply( unzipFileTest ( ## input parameters : here only one argt + '/tmp/CSF_v2018Jul09/CSF_v2018Jul09.zip', + '/tmp/CSF_v2018Jul09/csf_metabolites.xml', + 'csf_metabolites.xml' + + ), + 1, + 'Method \'unzipFile\' works with a valid url and a file name and return the attended output (1)'); + +#### #### ##### ###### ################################################ ###### ##### ##### ###### ###### + + ## END of SEQ01 SEQUENCE ## + +#### #### ##### ###### ################################################ ###### ##### ##### ###### ###### + +} + +#### #### ##### ###### ################################################ ###### ##### ##### ###### ###### + + ## START of SEQ02 SEQUENCE ## + +#### #### ##### ###### ################################################ ###### ##### ##### ###### ###### +elsif ($sequence eq "SEQ02") { + print "\n\t\t\t\t * * * * * * \n" ; + print "\t * * * - - - Test SEQ02 Main script - - - * * * \n\n" ; + + ## - - - - - - - - - - - - - - - - - - - NEXT - - - - - - - - - - - - - - - - - - - + # ARGVTS : $argt1, ... +# sleep 1 ; print "\n** Test $current_test getMetaboliteFeatures with a valid xml file **\n" ; $current_test++ ; +# is_deeply( getMetaboliteFeaturesTest ( ## input parameters : here only one argt +# '/Users/fgiacomoni/Inra/labs/perl/downloader-bank-hmdb/banks/CSF_v2018Jul09/csf_metabolites.xml', +# ), +# 450, +# 'Method \'getMetaboliteFeatures\' works with a valid xml and return the attended output (HASH)'); + + ## - - - - - - - - - - - - - - - - - - - NEXT - - - - - - - - - - - - - - - - - - - + # ARGVTS : $argt1, ... + sleep 1 ; print "\n** Test $current_test buildMetabolitesArray with a hash of metabolites **\n" ; $current_test++ ; + is_deeply( buildMetabolitesArrayTest ( ## input parameters : here only one argt + { 'HMDB0001565' => { 'metabolite_name' => 'Phosphorylcholine', + 'monisotopic_molecular_weight' => '184.073869485', + '[M+H]+' => '185.081145885', + '[M-H]-' => '183.066593085', + 'chemical_formula' => 'C5H15NO4P', + 'inchikey' => 'YHHSONZFOIEMCP-UHFFFAOYSA-O' }, + 'HMDB0006088' => { 'monisotopic_molecular_weight' => '180.063388116', + '[M+H]+' => '181.070664516', + '[M-H]-' => '179.056111716', + 'inchikey' => 'CDAISMWEOUEBRE-CDRYSYESSA-N', + 'chemical_formula' => 'C6H12O6', + 'metabolite_name' => 'scyllo-Inositol' } + }, + ['HMDB_ID','MzBank', '[M+H]+', '[M-H]-','MetName', 'ChemFormula', 'INChIkey'] + ), + [ + [ + 'HMDB_ID', + 'MzBank', + '[M+H]+', + '[M-H]-', + 'MetName', + 'ChemFormula', + 'INChIkey' + ], + [ + 'HMDB0001565', + '184.073869485', + '185.081145885', + '183.066593085', + 'Phosphorylcholine', + 'C5H15NO4P', + 'YHHSONZFOIEMCP-UHFFFAOYSA-O' + ], + [ + 'HMDB0006088', + '180.063388116', + '181.070664516', + '179.056111716', + 'scyllo-Inositol', + 'C6H12O6', + 'CDAISMWEOUEBRE-CDRYSYESSA-N' + ] + ], + 'Method \'buildMetabolitesArray\' works with a valid metabolites list and return the attended output (Array)'); + + ## - - - - - - - - - - - - - - - - - - - NEXT - - - - - - - - - - - - - - - - - - - + # ARGVTS : $argt1, ... + sleep 1 ; print "\n** Test $current_test setMetaboliteAcurrateMzToModesMz with a hash of metabolites **\n" ; $current_test++ ; + is_deeply( setMetaboliteAcurrateMzToModesMzTest ( ## input parameters : here only one argt + 'CARD', + [ + { + 'COMMON_NAME' => 'SM(d18:0/24:1(15Z)(OH))', + 'LOCATION' => 'Rumen', + 'MZ_AVERAGE' => '829.224', + 'INCHI' => 'InChI=1/C47H93N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-44(50)42-47(52)48-45(43-56-57(53,54)55-41-40-49(3,4)5)46(51)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h20-21,37,39,44-46,50-51H,6-19,22-36,38,40-43H2,1-5H3,(H-,48,52,53,54)/b21-20-,39-37+/t44?,45-,46+/m0/s1', + 'FORMULA' => 'C47H93N2O7P', + 'TAXONOMY' => 'Lipids', + 'HMDB_ID' => 'HMDB13469', + 'KEGG_ID' => 'C00550', + 'BIOCYC_ID' => 'Not Available', + 'IUPAC' => 'Not Available', + 'CAS' => 'Not Available', + 'MZ_MONO' => '828.672058' + } + ] + ), + [ + { + 'MZ_[M-H]-' => '827.6647816', + 'COMMON_NAME' => 'SM(d18:0/24:1(15Z)(OH))', + 'LOCATION' => 'Rumen', + 'MZ_[M+H]+' => '829.6793344', + 'MZ_AVERAGE' => '829.224', + 'INCHI' => 'InChI=1/C47H93N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-44(50)42-47(52)48-45(43-56-57(53,54)55-41-40-49(3,4)5)46(51)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h20-21,37,39,44-46,50-51H,6-19,22-36,38,40-43H2,1-5H3,(H-,48,52,53,54)/b21-20-,39-37+/t44?,45-,46+/m0/s1', + 'FORMULA' => 'C47H93N2O7P', + 'TAXONOMY' => 'Lipids', + 'HMDB_ID' => 'HMDB13469', + 'KEGG_ID' => 'C00550', + 'BIOCYC_ID' => 'Not Available', + 'IUPAC' => 'Not Available', + 'CAS' => 'Not Available', + 'MZ_MONO' => '828.672058' + } + ], + 'Method \'setMetaboliteAcurrateMzToModesMz\' works with XML FORMAT AND a valid metabolites list and return the attended output (Array)'); + + ## - - - - - - - - - - - - - - - - - - - NEXT - - - - - - - - - - - - - - - - - - - + # ARGVTS : $argt1, ... + sleep 1 ; print "\n** Test $current_test setMetaboliteAcurrateMzToModesMz with a hash of metabolites **\n" ; $current_test++ ; + is_deeply( setMetaboliteAcurrateMzToModesMzTest ( ## input parameters : here only one argt + 'XML', + { 'HMDB0001565' => { 'metabolite_name' => 'Phosphorylcholine', + 'monisotopic_molecular_weight' => '184.073869485', + 'chemical_formula' => 'C5H15NO4P', + 'inchikey' => 'YHHSONZFOIEMCP-UHFFFAOYSA-O' }, + 'HMDB0006088' => { 'monisotopic_molecular_weight' => '180.063388116', + 'inchikey' => 'CDAISMWEOUEBRE-CDRYSYESSA-N', + 'chemical_formula' => 'C6H12O6', + 'metabolite_name' => 'scyllo-Inositol' } + } + ), + { 'HMDB0001565' => { 'metabolite_name' => 'Phosphorylcholine', + 'monisotopic_molecular_weight' => '184.073869485', + '[M+H]+' => '185.081145885', + '[M-H]-' => '183.066593085', + 'chemical_formula' => 'C5H15NO4P', + 'inchikey' => 'YHHSONZFOIEMCP-UHFFFAOYSA-O' }, + 'HMDB0006088' => { 'monisotopic_molecular_weight' => '180.063388116', + '[M+H]+' => '181.070664516', + '[M-H]-' => '179.056111716', + 'inchikey' => 'CDAISMWEOUEBRE-CDRYSYESSA-N', + 'chemical_formula' => 'C6H12O6', + 'metabolite_name' => 'scyllo-Inositol' } + }, + 'Method \'setMetaboliteAcurrateMzToModesMz\' works with XML FORMAT AND a valid metabolites list and return the attended output (Array)'); + +} ## END ELSIF SEQ02 + +#### #### ##### ###### ################################################ ###### ##### ##### ###### ###### + + ## END of SEQ02 SEQUENCE ## + +#### #### ##### ###### ################################################ ###### ##### ##### ###### ###### + + +else { + croak "Can\'t launch any test : no sequence clearly defined !!!!\n" ; +} +
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/t/lib/hmdb_apiTest.pm Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,51 @@ +package hmdb_apiTest ; + +use diagnostics; # this gives you more debugging information +use warnings; # this warns you of bad practices +use strict; # this prevents silly errors +use Exporter ; +use Carp ; + +use Data::Dumper ; + +our $VERSION = "1.0"; +our @ISA = qw(Exporter); +our @EXPORT = qw( getMetaboliteFeaturesTest buildMetabolitesArrayTest setMetaboliteAcurrateMzToModesMzTest); +our %EXPORT_TAGS = ( ALL => [qw( getMetaboliteFeaturesTest buildMetabolitesArrayTest setMetaboliteAcurrateMzToModesMzTest)] ); + +use lib '/Users/fgiacomoni/Inra/labs/perl/downloader-bank-hmdb/lib' ; +use hmdb_api qw( :ALL ) ; + + +sub getMetaboliteFeaturesTest { + my ($xml) = @_ ; + my $oObject = hmdb_api->new() ; + my ($res, $nb) = $oObject->getMetaboliteFeatures($xml) ; + +# print $res ; + return ($nb) ; +} + + +sub buildMetabolitesArrayTest { + my ($met, $header) = @_ ; + my $oObject = hmdb_api->new() ; + my ($res) = $oObject->buildMetabolitesArray($met, $header) ; +# print Dumper $res ; + return ($res) ; +} + +## SUB TEST for +sub setMetaboliteAcurrateMzToModesMzTest { + # get values + my ( $format, $met ) = @_; + + my $var2 = hmdb_api->new() ; + my $var3 = $var2->setMetaboliteAcurrateMzToModesMz($format, $met, 1.007825, 0.0005486, 1) ; + + return($var3) ; +} +## End SUB + + +1 ; \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/t/lib/utilsTest.pm Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,45 @@ +package utilsTest ; + +use diagnostics; # this gives you more debugging information +use warnings; # this warns you of bad practices +use strict; # this prevents silly errors +use Exporter ; +use Carp ; + +use Data::Dumper ; + +our $VERSION = "1.0"; +our @ISA = qw(Exporter); +our @EXPORT = qw( getHttpFileVersionTest getHttpFileTest unzipFileTest); +our %EXPORT_TAGS = ( ALL => [qw( getHttpFileVersionTest getHttpFileTest unzipFileTest)] ); + +use lib '/Users/fgiacomoni/Inra/labs/perl/downloader-bank-hmdb/lib' ; +use utils qw( :ALL ) ; + + +sub getHttpFileVersionTest { + my ($url) = @_ ; + my $oObject = utils->new() ; + my ($version) = $oObject->getHttpFileVersion($url) ; +# print Dumper $version ; + return ($version) ; +} + +sub getHttpFileTest { + my ($url, $filename) = @_ ; + my $oObject = utils->new() ; + my ($file) = $oObject->getHttpFile($url, $filename) ; +# print Dumper $version ; + return ($file) ; +} + +sub unzipFileTest { + my ($archive, $filePath, $fileName) = @_ ; + my $oObject = utils->new() ; + $oObject->unzipFile($archive, $filePath, $fileName) ; +# print Dumper $version ; + return (1) ; +} + + +1 ; \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/out01.tabular Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,451 @@ +HMDB_ID MzBank [M+H]+ [M-H]- MetName ChemFormula INChIkey +HMDB0000001 169.085126611 170.092403011 168.077850211 1-Methylhistidine C7H11N3O2 BRMWTNUJHUMWMS-LURJTMIESA-N +HMDB0000005 102.031694058 103.038970458 101.024417658 "2-Ketobutyric acid" C4H6O3 TYEYBOSBBBHJIV-UHFFFAOYSA-N +HMDB0000008 104.047344122 105.054620522 103.040067722 "2-Hydroxybutyric acid" C4H8O3 AFENDNXGAFYKQO-UHFFFAOYSA-N +HMDB0000011 104.047344122 105.054620522 103.040067722 "(R)-3-Hydroxybutyric acid" C4H8O3 WHBMMWSBFZVSSR-GSVOUGTGSA-N +HMDB0000012 228.074621504 229.081897904 227.067345104 Deoxyuridine C9H12N2O5 MXHRCPNRJAMMIM-SHYZEUOFSA-N +HMDB0000017 183.053157781 184.060434181 182.045881381 "4-Pyridoxic acid" C8H9NO4 HXACOUQIXZGNBF-UHFFFAOYSA-N +HMDB0000019 116.047344122 117.054620522 115.040067722 "alpha-Ketoisovaleric acid" C5H8O3 QHKABHOOEWYVLI-UHFFFAOYSA-N +HMDB0000020 152.047344122 153.054620522 151.040067722 "p-Hydroxyphenylacetic acid" C8H8O3 XQXPVVBIMDBYFF-UHFFFAOYSA-N +HMDB0000022 167.094628665 168.101905065 166.087352265 3-Methoxytyramine C9H13NO2 DIVQKHQLANKJQO-UHFFFAOYSA-N +HMDB0000023 104.047344122 105.054620522 103.040067722 "(S)-3-Hydroxyisobutyric acid" C4H8O3 DBXBTMSZEOQQDU-VKHMYHEASA-N +HMDB0000026 132.053492132 133.060768532 131.046215732 "Ureidopropionic acid" C4H8N2O3 JSJWCHRYRHKBBW-UHFFFAOYSA-N +HMDB0000027 241.117489371 242.124765771 240.110212971 Tetrahydrobiopterin C9H15N5O3 FNKQXYHWGSIFBK-UHFFFAOYSA-N +HMDB0000030 244.088163078 245.095439478 243.080886678 Biotin C10H16N2O3S YBJHBAHKTGYVGT-ZKWXMUAHSA-N +HMDB0000031 290.224580204 291.231856604 289.217303804 Androsterone C19H30O2 QGXBDMJGAMFCBF-HLUDHZFRSA-N +HMDB0000032 384.33921603 385.34649243 383.33193963 7-Dehydrocholesterol C27H44O UCTLRSWJYQTBFZ-DDPQNLDTSA-N +HMDB0000034 135.054495185 136.061771585 134.047218785 Adenine C5H5N5 GFFGJBXGBJISGV-UHFFFAOYSA-N +HMDB0000038 239.101839307 240.109115707 238.094562907 Dihydrobiopterin C9H13N5O3 FEMXZDUTFRTWPE-UHFFFAOYSA-N +HMDB0000039 88.0524295 89.0597059 87.0451531 "Butyric acid" C4H8O2 FERIUCNNQQJTOY-UHFFFAOYSA-N +HMDB0000042 60.021129372 61.028405772 59.013852972 "Acetic acid" C2H4O2 QTBSBXVTEAMEQO-UHFFFAOYSA-N +HMDB0000044 176.032087988 177.039364388 175.024811588 "Ascorbic acid" C6H8O6 CIWBSHSKHKDKBQ-JLAZNSOCSA-N +HMDB0000045 347.063084339 348.070360739 346.055807939 "Adenosine monophosphate" C10H14N5O7P UDMBCSSLTHHNCD-KQYNXXCUSA-N +HMDB0000050 267.096753929 268.104030329 266.089477529 Adenosine C10H13N5O4 OIRDTQYFTABQOQ-KQYNXXCUSA-N +HMDB0000051 17.026549101 18.033825501 16.019272701 Ammonia H3N QGZKDVFQNNGYKY-UHFFFAOYSA-N +HMDB0000053 286.193280076 287.200556476 285.186003676 Androstenedione C19H26O2 AEMFNILZOJDQLW-QAGGRKNESA-N +HMDB0000054 584.263484904 585.270761304 583.256208504 Bilirubin C33H36N4O6 BPYKTIZUTYGOLE-IFADSCNNSA-N +HMDB0000056 89.047678473 90.054954873 88.040402073 beta-Alanine C3H7NO2 UCMIRNVEIXFBKS-UHFFFAOYSA-N +HMDB0000058 329.052519653 330.059796053 328.045243253 "Cyclic AMP" C10H12N5O6P IVOMOUWHDPKRLL-KQYNXXCUSA-N +HMDB0000060 102.031694058 103.038970458 101.024417658 "Acetoacetic acid" C4H6O3 WDJHALXBUFZDSR-UHFFFAOYSA-N +HMDB0000062 161.105193351 162.112469751 160.097916951 L-Carnitine C7H15NO3 PHIQHXFUZVPYII-ZCFIWIBFSA-N +HMDB0000063 362.20932407 363.21660047 361.20204767 Cortisol C21H30O5 JYGXADMDTFJGBT-VWUMJDOOSA-N +HMDB0000064 131.069476547 132.076752947 130.062200147 Creatine C4H9N3O2 CVSVTCORWBXHQV-UHFFFAOYSA-N +HMDB0000067 386.354866094 387.362142494 385.347589694 Cholesterol C27H46O HVYWMOMLDIMFJA-DPAQBDIFSA-N +HMDB0000068 183.089543287 184.096819687 182.082266887 Epinephrine C9H13NO3 UCTWMZQNUQWSLP-VIFPVBQESA-N +HMDB0000070 129.078978601 130.086255001 128.071702201 "Pipecolic acid" C6H11NO2 HXEACLLIILLPRG-UHFFFAOYSA-N +HMDB0000072 174.016437924 175.023714324 173.009161524 "cis-Aconitic acid" C6H6O6 GTZCVFVGUGFEME-IWQZZHSRSA-N +HMDB0000073 153.078978601 154.086255001 152.071702201 Dopamine C8H11NO2 VYFYYTLLBUKUHU-UHFFFAOYSA-N +HMDB0000076 114.042927446 115.050203846 113.035651046 Dihydrouracil C4H6N2O2 OIVLITBTBDPEFK-UHFFFAOYSA-N +HMDB0000077 288.20893014 289.21620654 287.20165374 Dehydroepiandrosterone C19H28O2 FMGSKLZLMKYGDP-USOAJAOKSA-N +HMDB0000078 178.041212886 179.048489286 177.033936486 Cysteinylglycine C5H10N2O3S ZUKPVRWZDMRIEO-VKHMYHEASA-N +HMDB0000079 128.05857751 129.06585391 127.05130111 Dihydrothymine C5H8N2O2 NBAKTGXDIBVZOO-UHFFFAOYSA-N +HMDB0000086 257.102823889 258.110100289 256.095547489 Glycerophosphocholine C8H20NO6P SUHOQUVVVLNYQR-QMMMGPOBSA-N +HMDB0000087 45.057849229 46.065125629 44.050572829 Dimethylamine C2H7N ROSDSFDQCJNGOL-UHFFFAOYSA-N +HMDB0000089 243.085520541 244.092796941 242.078244141 Cytidine C9H13N3O5 UHDGCWIWMRVCDJ-XVFCMESISA-N +HMDB0000094 192.02700261 193.03427901 191.01972621 "Citric acid" C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N +HMDB0000097 104.107539075 105.114815475 103.100262675 Choline C5H14NO OEYIOHPDSNJKLS-UHFFFAOYSA-N +HMDB0000099 222.067427636 223.074704036 221.060151236 L-Cystathionine C7H14N2O4S ILRYLPWNYFXEMH-WHFBIAKZSA-N +HMDB0000107 182.07903818 183.08631458 181.07176178 Galactitol C6H14O6 FBPFZTCFMRRESA-GUCUJZIJSA-N +HMDB0000108 46.041864814 47.049141214 45.034588414 Ethanol C2H6O LFQSCWFLJHTTHZ-UHFFFAOYSA-N +HMDB0000112 103.063328537 104.070604937 102.056052137 "gamma-Aminobutyric acid" C4H9NO2 BTCSSZJGUNDROE-UHFFFAOYSA-N +HMDB0000115 76.016043994 77.023320394 75.008767594 "Glycolic acid" C2H4O3 AEMRFAOFKBGASW-UHFFFAOYSA-N +HMDB0000118 182.057908808 183.065185208 181.050632408 "Homovanillic acid" C9H10O4 QRMZSPFSDQBLIX-UHFFFAOYSA-N +HMDB0000119 74.00039393 75.00767033 72.99311753 "Glyoxylic acid" C2H2O3 HHLFWLYXYJOTON-UHFFFAOYSA-N +HMDB0000121 441.139681375 442.146957775 440.132404975 "Folic acid" C19H19N7O6 OVBPIULPVIDEAO-LBPRGKRZSA-N +HMDB0000122 180.063388116 181.070664516 179.056111716 D-Glucose C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N +HMDB0000123 75.032028409 76.039304809 74.024752009 Glycine C2H5NO2 DHMQDGOQFOQNFH-UHFFFAOYSA-N +HMDB0000125 307.083805981 308.091082381 306.076529581 Glutathione C10H17N3O6S RWSXRVCMGQZWBV-WDSKDSINSA-N +HMDB0000128 117.053826483 118.061102883 116.046550083 "Guanidoacetic acid" C3H7N3O2 BPMFZUMJYQTVII-UHFFFAOYSA-N +HMDB0000131 92.047344122 93.054620522 91.040067722 Glycerol C3H8O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N +HMDB0000134 116.010958616 117.018235016 115.003682216 "Fumaric acid" C4H4O4 VZCYOOQTPOCHFL-OWOJBTEDSA-N +HMDB0000139 106.02660868 107.03388508 105.01933228 "Glyceric acid" C3H6O4 RBNPOMFGQQGHHO-UWTATZPHSA-N +HMDB0000142 46.005479308 47.012755708 44.998202908 "Formic acid" CH2O2 BDAGIHXWWSANSR-UHFFFAOYSA-N +HMDB0000143 180.063388116 181.070664516 179.056111716 D-Galactose C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N +HMDB0000148 147.053157781 148.060434181 146.045881381 "L-Glutamic acid" C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N +HMDB0000149 61.052763851 62.060040251 60.045487451 Ethanolamine C2H7NO HZAXFHJVJLSVMW-UHFFFAOYSA-N +HMDB0000151 272.177630012 273.184906412 271.170353612 Estradiol C18H24O2 VOXZDWNPVJITMN-ZBRFXRBCSA-N +HMDB0000156 134.021523302 135.028799702 133.014246902 "L-Malic acid" C4H6O5 BJEPYKJPYRNKOW-REOHCLBHSA-N +HMDB0000157 136.03851077 137.04578717 135.03123437 Hypoxanthine C5H4N4O FDGQSTZJBFJUBT-UHFFFAOYSA-N +HMDB0000158 181.073893223 182.081169623 180.066616823 L-Tyrosine C9H11NO3 OUYCCCASQSFEME-QMMMGPOBSA-N +HMDB0000159 165.078978601 166.086255001 164.071702201 L-Phenylalanine C9H11NO2 COLNVLDHVKWLRT-QMMMGPOBSA-N +HMDB0000161 89.047678473 90.054954873 88.040402073 L-Alanine C3H7NO2 QNAYBMKLOCPYGJ-REOHCLBHSA-N +HMDB0000162 115.063328537 116.070604937 114.056052137 L-Proline C5H9NO2 ONIBWKKTOPOVIA-BYPYZUCNSA-N +HMDB0000167 119.058243159 120.065519559 118.050966759 L-Threonine C4H9NO3 AYFVYJQAPQTCCC-GBXIJSLDSA-N +HMDB0000168 132.053492132 133.060768532 131.046215732 L-Asparagine C4H8N2O3 DCXYFEDJOCDNAF-REOHCLBHSA-N +HMDB0000169 180.063388116 181.070664516 179.056111716 D-Mannose C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N +HMDB0000172 131.094628665 132.101905065 130.087352265 L-Isoleucine C6H13NO2 AGPKZVBTJJNPAG-WHFBIAKZSA-N +HMDB0000175 348.047099924 349.054376324 347.039823524 "Inosinic acid" C10H13N4O8P GRSZFWQUAKGDAV-KQYNXXCUSA-N +HMDB0000177 155.069476547 156.076752947 154.062200147 L-Histidine C6H9N3O2 HNDVDQJCIGZPNO-YFKPBYRVSA-N +HMDB0000181 197.068807845 198.076084245 196.061531445 L-Dopa C9H11NO4 WTDRDQBEARUVNC-LURJTMIESA-N +HMDB0000182 146.105527702 147.112804102 145.098251302 L-Lysine C6H14N2O2 KDXKERNSBIXSRK-YFKPBYRVSA-N +HMDB0000187 105.042593095 106.049869495 104.035316695 L-Serine C3H7NO3 MTCFGRXMJLQNBG-REOHCLBHSA-N +HMDB0000190 90.031694058 91.038970458 89.024417658 "L-Lactic acid" C3H6O3 JVTAAEKCZFNVCJ-REOHCLBHSA-N +HMDB0000191 133.037507717 134.044784117 132.030231317 "L-Aspartic acid" C4H7NO4 CKLJMWTZIZZHCS-REOHCLBHSA-N +HMDB0000192 240.023848262 241.031124662 239.016571862 L-Cystine C6H12N2O4S2 LEVWYRKDKASIDU-IMJSIDKUSA-N +HMDB0000193 192.02700261 193.03427901 191.01972621 "Isocitric acid" C6H8O7 ODBLHEXUDAPZAU-UHFFFAOYSA-N +HMDB0000195 268.080769514 269.088045914 267.073493114 Inosine C10H12N4O5 UGQMRVRMYYASKQ-KQYNXXCUSA-N +HMDB0000197 175.063328537 176.070604937 174.056052137 "Indoleacetic acid" C10H9NO2 SEOVTRFCIGRIMH-UHFFFAOYSA-N +HMDB0000201 203.115758031 204.123034431 202.108481631 L-Acetylcarnitine C9H17NO4 RDHQFKQIGNGIED-MRVPVSSYSA-N +HMDB0000202 118.02660868 119.03388508 117.01933228 "Methylmalonic acid" C4H6O4 ZIYVHBGGAOATLY-UHFFFAOYSA-N +HMDB0000207 282.255880332 283.263156732 281.248603932 "Oleic acid" C18H34O2 ZQPPMHVWECSIRJ-KTKRTIGZSA-N +HMDB0000208 146.021523302 147.028799702 145.014246902 "Oxoglutaric acid" C5H6O5 KPGXRSRHYNQIFN-UHFFFAOYSA-N +HMDB0000209 136.0524295 137.0597059 135.0451531 "Phenylacetic acid" C8H8O2 WLJVXDMOQOGPHL-UHFFFAOYSA-N +HMDB0000210 219.110672659 220.117949059 218.103396259 "Pantothenic acid" C9H17NO5 GHOKWGTUZJEAQD-ZETCQYMHSA-N +HMDB0000211 180.063388116 181.070664516 179.056111716 myo-Inositol C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N +HMDB0000214 132.089877638 133.097154038 131.082601238 Ornithine C5H12N2O2 AHLPHDHHMVZTML-BYPYZUCNSA-N +HMDB0000216 169.073893223 170.081169623 168.066616823 Norepinephrine C8H11NO3 SFLSHLFXELFNJZ-QMMMGPOBSA-N +HMDB0000220 256.240230268 257.247506668 255.232953868 "Palmitic acid" C16H32O2 IPCSVZSSVZVIGE-UHFFFAOYSA-N +HMDB0000223 132.005873238 133.013149638 130.998596838 "Oxalacetic acid" C4H4O5 KHPXUQMNIQBQEV-UHFFFAOYSA-N +HMDB0000224 141.019094261 142.026370661 140.011817861 O-Phosphoethanolamine C2H8NO4P SUHOOTKUPISOBE-UHFFFAOYSA-N +HMDB0000230 309.105981211 310.113257611 308.098704811 "N-Acetylneuraminic acid" C11H19NO9 SQVRNKJHWKZAKO-PFQGKNLYSA-N +HMDB0000232 167.021857653 168.029134053 166.014581253 "Quinolinic acid" C7H5NO4 GJAWHXHKYYXBSV-UHFFFAOYSA-N +HMDB0000234 288.20893014 289.21620654 287.20165374 Testosterone C19H28O2 MUMGGOZAMZWBJJ-DYKIIFRCSA-N +HMDB0000235 265.112306876 266.119583276 264.105030476 Thiamine C12H17N4OS JZRWCGZRTZMZEH-UHFFFAOYSA-N +HMDB0000237 74.036779436 75.044055836 73.029503036 "Propionic acid" C3H6O2 XBDQKXXYIPTUBI-UHFFFAOYSA-N +HMDB0000238 237.086189243 238.093465643 236.078912843 Sepiapterin C9H11N5O3 VPVOXUSPXFPWBN-VKHMYHEASA-N +HMDB0000239 169.073893223 170.081169623 168.066616823 Pyridoxine C8H11NO3 LXNHXLLTXMVWPM-UHFFFAOYSA-N +HMDB0000243 88.016043994 89.023320394 87.008767594 "Pyruvic acid" C3H4O3 LCTONWCANYUPML-UHFFFAOYSA-N +HMDB0000244 376.138284392 377.145560792 375.131007992 Riboflavin C17H20N4O6 AUNGANRZJHBGPY-SCRDCRAPSA-N +HMDB0000247 182.07903818 183.08631458 181.07176178 Sorbitol C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N +HMDB0000251 125.014663785 126.021940185 124.007387385 Taurine C2H7NO3S XOAAWQZATWQOTB-UHFFFAOYSA-N +HMDB0000253 316.240230268 317.247506668 315.232953868 Pregnenolone C21H32O2 ORNBQBCIOKFOEO-QGVNFLHTSA-N +HMDB0000254 118.02660868 119.03388508 117.01933228 "Succinic acid" C4H6O4 KDYFGRWQOYBRFD-UHFFFAOYSA-N +HMDB0000259 176.094963016 177.102239416 175.087686616 Serotonin C10H12N2O QZAYGJVTTNCVMB-UHFFFAOYSA-N +HMDB0000262 126.042927446 127.050203846 125.035651046 Thymine C5H6N2O2 RWQNBRDOKXIBIV-UHFFFAOYSA-N +HMDB0000267 129.042593095 130.049869495 128.035316695 "Pyroglutamic acid" C5H7NO3 ODHCTXKNWHHXJC-VKHMYHEASA-N +HMDB0000271 89.047678473 90.054954873 88.040402073 Sarcosine C3H7NO2 FSYKKLYZXJSNPZ-UHFFFAOYSA-N +HMDB0000272 185.008923505 186.016199905 184.001647105 Phosphoserine C3H8NO6P BZQFBWGGLXLEPQ-REOHCLBHSA-N +HMDB0000273 242.090271568 243.097547968 241.082995168 Thymidine C10H14N2O5 IQFYYKKMVGJFEH-XLPZGREQSA-N +HMDB0000283 150.05282343 151.06009983 149.04554703 D-Ribose C5H10O5 HMFHBZSHGGEWLO-SOOFDHNKSA-N +HMDB0000289 168.028340014 169.035616414 167.021063614 "Uric acid" C5H4N4O3 LEHOTFFKMJEONL-UHFFFAOYSA-N +HMDB0000292 152.033425392 153.040701792 151.026148992 Xanthine C5H4N4O2 LRFVTYWOQMYALW-UHFFFAOYSA-N +HMDB0000294 60.03236276 61.03963916 59.02508636 Urea CH4N2O XSQUKJJJFZCRTK-UHFFFAOYSA-N +HMDB0000296 244.069536126 245.076812526 243.062259726 Uridine C9H12N2O6 DRTQHJPVMGBUCF-XVFCMESISA-N +HMDB0000300 112.027277382 113.034553782 111.020000982 Uracil C4H4N2O2 ISAKRJDGNUQOIC-UHFFFAOYSA-N +HMDB0000317 132.07864425 133.08592065 131.07136785 "2-Hydroxy-3-methylpentanoic acid" C6H12O3 RILPIWOPNGRASR-RFZPGFLSSA-N +HMDB0000318 170.057908808 171.065185208 169.050632408 3,4-Dihydroxyphenylglycol C8H10O4 MTVWFVDWRVYDOR-UHFFFAOYSA-N +HMDB0000336 104.047344122 105.054620522 103.040067722 "(R)-3-Hydroxyisobutyric acid" C4H8O3 DBXBTMSZEOQQDU-GSVOUGTGSA-N +HMDB0000337 120.042258744 121.049535144 119.034982344 "(S)-3,4-Dihydroxybutyric acid" C4H8O4 DZAIOXUZHHTJKN-UHFFFAOYSA-N +HMDB0000357 104.047344122 105.054620522 103.040067722 "3-Hydroxybutyric acid" C4H8O3 WHBMMWSBFZVSSR-UHFFFAOYSA-N +HMDB0000360 120.042258744 121.049535144 119.034982344 "2,4-Dihydroxybutanoic acid" C4H8O4 UFYGCFHQAXXBCF-UHFFFAOYSA-N +HMDB0000379 206.042652674 207.049929074 205.035376274 "2-Methylcitric acid" C7H10O7 YNOXCRMFGMSKIJ-UHFFFAOYSA-N +HMDB0000407 118.062994186 119.070270586 117.055717786 "2-Hydroxy-3-methylbutyric acid" C5H10O3 NGEWQZIDQIYUNV-UHFFFAOYSA-N +HMDB0000428 148.037173366 149.044449766 147.029896966 "3-Hydroxyglutaric acid" C5H8O5 ZQHYXNSQOIDNTL-UHFFFAOYSA-N +HMDB0000440 152.047344122 153.054620522 151.040067722 "3-Hydroxyphenylacetic acid" C8H8O3 FVMDYYGIDFPZAX-UHFFFAOYSA-N +HMDB0000448 146.057908808 147.065185208 145.050632408 "Adipic acid" C6H10O4 WNLRTRBMVRJNCN-UHFFFAOYSA-N +HMDB0000450 162.100442324 163.107718724 161.093165924 5-Hydroxylysine C6H14N2O3 YSMODUONRAFBET-UHNVWZDZSA-N +HMDB0000452 103.063328537 104.070604937 102.056052137 "L-alpha-Aminobutyric acid" C4H9NO2 QWCKQJZIFLGMSD-VKHMYHEASA-N +HMDB0000462 158.043990078 159.051266478 157.036713678 Allantoin C4H6N4O3 POJWUDADGALRAB-UHFFFAOYSA-N +HMDB0000464 39.962591155 40.969867555 38.955314755 Calcium Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N +HMDB0000468 237.086189243 238.093465643 236.078912843 Biopterin C9H11N5O3 LHQIJBMDNUYRAM-DZSWIPIPSA-N +HMDB0000472 220.08479226 221.09206866 219.07751586 5-Hydroxy-L-tryptophan C11H12N2O3 LDCYZAJDBXYCGN-VIFPVBQESA-N +HMDB0000479 169.085126611 170.092403011 168.077850211 3-Methylhistidine C7H11N3O2 JDHILDINMRGULE-LURJTMIESA-N +HMDB0000482 144.115029756 145.122306156 143.107753356 "Caprylic acid" C8H16O2 WWZKQHOCKIZLMA-UHFFFAOYSA-N +HMDB0000491 130.062994186 131.070270586 129.055717786 "3-Methyl-2-oxovaleric acid" C6H10O3 JVQYSWDUAOAHFM-UHFFFAOYSA-N +HMDB0000492 34.968852707 35.976129107 33.961576307 "Chloride ion" Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M +HMDB0000500 138.031694053 139.038970453 137.024417653 "4-Hydroxybenzoic acid" C7H6O3 FJKROLUGYXJWQN-UHFFFAOYSA-N +HMDB0000501 400.334130652 401.341407052 399.326854252 7-Ketocholesterol C27H44O2 YIKKMWSQVKJCOP-QJFKPLHKSA-N +HMDB0000508 152.068473494 153.075749894 151.061197094 Ribitol C5H12O5 HEBKCHPVOIAQTA-ZXFHETKHSA-N +HMDB0000517 174.111675712 175.118952112 173.104399312 L-Arginine C6H14N4O2 ODKSFYDXXFIFQN-BYPYZUCNSA-N +HMDB0000522 144.042258744 145.049535144 143.034982344 "3-Methylglutaconic acid" C6H8O4 WKRBKYFIJPGYQC-DUXPYHPUSA-N +HMDB0000531 118.062994186 119.070270586 117.055717786 "3-Hydroxyvaleric acid" C5H10O3 REKYPYSUBKSCAT-UHFFFAOYSA-N +HMDB0000535 116.083729628 117.091006028 115.076453228 "Caproic acid" C6H12O2 FUZZWVXGSFPDMH-UHFFFAOYSA-N +HMDB0000538 506.995745159 508.003021559 505.988468759 "Adenosine triphosphate" C10H16N5O13P3 ZKHQWZAMYRWXGA-KQYNXXCUSA-N +HMDB0000547 23.985041898 24.992318298 22.977765498 Magnesium Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N +HMDB0000557 131.094628665 132.101905065 130.087352265 L-Alloisoleucine C6H13NO2 AGPKZVBTJJNPAG-UHNVWZDZSA-N +HMDB0000562 113.058911861 114.066188261 112.051635461 Creatinine C4H7N3O DDRJAANPRJIHGJ-UHFFFAOYSA-N +HMDB0000568 152.068473494 153.075749894 151.061197094 D-Arabitol C5H12O5 HEBKCHPVOIAQTA-QWWZWVQMSA-N +HMDB0000574 121.019749163 122.027025563 120.012472763 L-Cysteine C3H7NO2S XUJNEKJLAYXESH-REOHCLBHSA-N +HMDB0000586 38.963706861 39.970983261 37.956430461 Potassium K NPYPAHLBTDXSSS-UHFFFAOYSA-N +HMDB0000588 22.989769675 23.997046075 21.982493275 Sodium Na FKNQFGJONOIPTF-UHFFFAOYSA-N +HMDB0000595 62.00039393 63.00767033 60.99311753 "Hydrogen carbonate" CH2O3 BVKZGUZCCUSVTD-UHFFFAOYSA-N +HMDB0000599 51.940511904 52.947788304 50.933235504 Chromium Cr BFGKITSFLPAWGI-UHFFFAOYSA-N +HMDB0000606 148.037173366 149.044449766 147.029896966 "D-2-Hydroxyglutaric acid" C5H8O5 HWXBTNAVRSUOJR-GSVOUGTGSA-N +HMDB0000607 1355.575230332 1356.582506732 1354.567953932 Cyanocobalamin C63H89CoN14O14P SEKGMJVHSBBHRD-WZHZPDAFSA-M +HMDB0000608 58.933200194 59.940476594 57.925923794 Cobalt Co XLJKHNWPARRRJB-UHFFFAOYSA-N +HMDB0000613 136.037173366 137.044449766 135.029896966 "Erythronic acid" C4H8O5 JPIJQSOTBSSVTP-PWNYCUMCSA-N +HMDB0000622 132.042258744 133.049535144 131.034982344 "Ethylmalonic acid" C5H8O4 UKFXDFUAPNAMPJ-UHFFFAOYSA-N +HMDB0000638 200.177630012 201.184906412 199.170353612 "Dodecanoic acid" C12H24O2 POULHZVOKOAJMA-UHFFFAOYSA-N +HMDB0000641 146.069142196 147.076418596 145.061865796 L-Glutamine C5H10N2O3 ZDXPYRJPNDTMRX-VKHMYHEASA-N +HMDB0000646 150.05282343 151.06009983 149.04554703 L-Arabinose C5H10O5 SRBFZHDQGSBBOR-HWQSCIPKSA-N +HMDB0000657 62.929601079 63.936877479 61.922324679 Copper Cu JPVYNHNXODAKFH-UHFFFAOYSA-N +HMDB0000660 180.063388116 181.070664516 179.056111716 D-Fructose C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N +HMDB0000661 132.042258744 133.049535144 131.034982344 "Glutaric acid" C5H8O4 JFCQEDHGNNZCLN-UHFFFAOYSA-N +HMDB0000670 188.127325776 189.134602176 187.120049376 Homo-L-arginine C7H16N4O2 QUOGESRFPZDMMT-YFKPBYRVSA-N +HMDB0000673 280.240230268 281.247506668 279.232953868 "Linoleic acid" C18H32O2 OYHQOLUKZRVURQ-HZJYTTRNSA-N +HMDB0000675 253.80893684 254.81621324 252.80166044 Iodine I2 PNDPGZBMCMUPRI-UHFFFAOYSA-N +HMDB0000676 268.05514839 269.06242479 267.04787199 L-Homocystine C8H16N2O4S2 ZTVZLYBCZNMWCF-ZBHICJROSA-N +HMDB0000684 208.08479226 209.09206866 207.07751586 L-Kynurenine C10H12N2O3 YGPSJZOEDVAXAB-QMMMGPOBSA-N +HMDB0000687 131.094628665 132.101905065 130.087352265 L-Leucine C6H13NO2 ROHFNLRQFUQHCH-YFKPBYRVSA-N +HMDB0000691 104.010958616 105.018235016 103.003682216 "Malonic acid" C3H4O4 OFOBLEOULBTSOW-UHFFFAOYSA-N +HMDB0000692 55.934942133 56.942218533 54.927665733 Fe2+ Fe CWYNVVGOOAEACU-UHFFFAOYSA-N +HMDB0000694 148.037173366 149.044449766 147.029896966 "L-2-Hydroxyglutaric acid" C5H8O5 HWXBTNAVRSUOJR-VKHMYHEASA-N +HMDB0000695 130.062994186 131.070270586 129.055717786 Ketoleucine C6H10O3 BKAJNAXTPSGJCU-UHFFFAOYSA-N +HMDB0000696 149.051049291 150.058325691 148.043772891 L-Methionine C5H11NO2S FFEARJCKVFRZRR-BYPYZUCNSA-N +HMDB0000700 90.031694058 91.038970458 89.024417658 "Hydroxypropionic acid" C3H6O3 ALRHLSYJTWAHJZ-UHFFFAOYSA-N +HMDB0000710 104.047344122 105.054620522 103.040067722 "4-Hydroxybutyric acid" C4H8O3 SJZRECIVHVDYJC-UHFFFAOYSA-N +HMDB0000714 179.058243159 180.065519559 178.050966759 "Hippuric acid" C9H9NO3 QIAFMBKCNZACKA-UHFFFAOYSA-N +HMDB0000715 189.042593095 190.049869495 188.035316695 "Kynurenic acid" C10H7NO3 HCZHHEIFKROPDY-UHFFFAOYSA-N +HMDB0000718 102.068079564 103.075355964 101.060803164 "Isovaleric acid" C5H10O2 GWYFCOCPABKNJV-UHFFFAOYSA-N +HMDB0000721 172.08479226 173.09206866 171.07751586 Glycylproline C7H12N2O3 KZNQNBZMBZJQJO-UHFFFAOYSA-N +HMDB0000725 131.058243159 132.065519559 130.050966759 4-Hydroxyproline C5H9NO3 PMMYEEVYMWASQN-DMTCNVIQSA-N +HMDB0000742 135.035399227 136.042675627 134.028122827 Homocysteine C4H9NO2S FFFHZYDWPBMWHY-UHFFFAOYSA-N +HMDB0000744 134.021523302 135.028799702 133.014246902 "Malic acid" C4H6O5 BJEPYKJPYRNKOW-UHFFFAOYSA-N +HMDB0000745 240.122240398 241.129516798 239.114963998 Homocarnosine C10H16N4O3 CCLQKVKJOGVQLU-QMMMGPOBSA-N +HMDB0000746 132.07864425 133.08592065 131.07136785 "Hydroxyisocaproic acid" C6H12O3 LVRFTAZAXQPQHI-YFKPBYRVSA-N +HMDB0000751 150.05282343 151.06009983 149.04554703 L-Threo-2-pentulose C5H10O5 ZAQJHHRNXZUBTE-WVZVXSGGSA-N +HMDB0000754 118.062994186 119.070270586 117.055717786 "3-Hydroxyisovaleric acid" C5H10O3 AXFYFNCPONWUHW-UHFFFAOYSA-N +HMDB0000755 182.057908808 183.065185208 181.050632408 "Hydroxyphenyllactic acid" C9H10O4 JVGVDSSUAVXRDY-UHFFFAOYSA-N +HMDB0000763 191.058243159 192.065519559 190.050966759 "5-Hydroxyindoleacetic acid" C10H9NO3 DUUGKQCEGZLZNO-UHFFFAOYSA-N +HMDB0000765 182.07903818 183.08631458 181.07176178 Mannitol C6H14O6 FBPFZTCFMRRESA-KVTDHHQDSA-N +HMDB0000784 188.104859 189.1121354 187.0975826 "Azelaic acid" C9H16O4 BDJRBEYXGGNYIS-UHFFFAOYSA-N +HMDB0000787 241.117489371 242.124765771 240.110212971 Sapropterin C9H15N5O3 FNKQXYHWGSIFBK-BYAPIUGTSA-N +HMDB0000797 454.073708604 455.080985004 453.066432204 SAICAR C13H19N4O12P NAQGHJTUZRHGAC-ZZZDFHIKSA-N +HMDB0000806 228.20893014 229.21620654 227.20165374 "Myristic acid" C14H28O2 TUNFSRHWOTWDNC-UHFFFAOYSA-N +HMDB0000812 175.048072403 176.055348803 174.040796003 "N-Acetyl-L-aspartic acid" C6H9NO5 OTCCIMWXFLJLIA-BYPYZUCNSA-N +HMDB0000819 183.089543287 184.096819687 182.082266887 Normetanephrine C9H13NO3 YNYAYWLBAHXHLL-UHFFFAOYSA-N +HMDB0000824 217.131408101 218.138684501 216.124131701 Propionylcarnitine C10H19NO4 UFAHZIUFPNSHSL-UHFFFAOYSA-N +HMDB0000827 284.271530396 285.278806796 283.264253996 "Stearic acid" C18H36O2 QIQXTHQIDYTFRH-UHFFFAOYSA-N +HMDB0000830 267.095416525 268.102692925 266.088140125 "Neuraminic acid" C9H17NO8 CERZMXAJYMMUDR-YOQZMRDMSA-N +HMDB0000845 253.081103865 254.088380265 252.073827465 Neopterin C9H11N5O4 BMQYVXCPAOLZOK-UHFFFAOYSA-N +HMDB0000863 60.057514878 61.064791278 59.050238478 "Isopropyl alcohol" C3H8O KFZMGEQAYNKOFK-UHFFFAOYSA-N +HMDB0000870 111.079647303 112.086923703 110.072370903 Histamine C5H9N3 NTYJJOPFIAHURM-UHFFFAOYSA-N +HMDB0000883 117.078978601 118.086255001 116.071702201 L-Valine C5H11NO2 KZSNJWFQEVHDMF-BYPYZUCNSA-N +HMDB0000893 174.089208936 175.096485336 173.081932536 "Suberic acid" C8H14O4 TYFQFVWCELRYAO-UHFFFAOYSA-N +HMDB0000895 146.118103761 147.125380161 145.110827361 "Acetylcholine " C7H16NO2 OIPILFWXSMYKGL-UHFFFAOYSA-N +HMDB0000898 125.095297367 126.102573767 124.088020967 1-Methylhistamine C6H11N3 FHQDWPCFSJMNCT-UHFFFAOYSA-N +HMDB0000904 175.095691297 176.102967697 174.088414897 Citrulline C6H13N3O3 RHGKLRLOHDJJDR-BYPYZUCNSA-N +HMDB0000906 59.073499293 60.080775693 58.066222893 Trimethylamine C3H9N GETQZCLCWQTVFV-UHFFFAOYSA-N +HMDB0000912 383.107712545 384.114988945 382.100436145 Succinyladenosine C14H17N5O8 VKGZCEJTCKHMRL-VWJPMABRSA-N +HMDB0000929 204.089877638 205.097154038 203.082601238 L-Tryptophan C11H12N2O2 QIVBCDIJIAJPQS-VIFPVBQESA-N +HMDB0000939 384.12158847 385.12886487 383.11431207 S-Adenosylhomocysteine C14H20N6O5S ZJUKTBDSGOFHSH-WFMPWKQPSA-N +HMDB0000990 44.02621475 45.03349115 43.01893835 Acetaldehyde C2H4O IKHGUXGNUITLKF-UHFFFAOYSA-N +HMDB0000996 153.009578407 154.016854807 152.002302007 3-Sulfinoalanine C3H7NO4S WVMUCBHSEHBMKA-REOHCLBHSA-N +HMDB0001035 1045.534514801 1046.541791201 1044.527238401 "Angiotensin II" C50H71N13O12 CZGUSIXMZVURDU-JZXHSEFVSA-N +HMDB0001043 304.240230268 305.247506668 303.232953868 "Arachidonic acid" C20H32O2 YZXBAPSDXZZRGB-DOFZRALJSA-N +HMDB0001046 176.094963016 177.102239416 175.087686616 Cotinine C10H12N2O UIKROCXWUNQSPJ-UHFFFAOYSA-N +HMDB0001067 304.090665498 305.097941898 303.083389098 "N-Acetylaspartylglutamic acid" C11H16N2O8 OPVPGKGADVGKTG-UHFFFAOYSA-N +HMDB0001085 336.230059512 337.237335912 335.222783112 "Leukotriene B4" C20H32O4 VNYSSYRCGWBHLG-AMOLWHMGSA-N +HMDB0001123 137.047678473 138.054954873 136.040402073 "2-Aminobenzoic acid" C7H7NO2 RWZYAGGXGHYGMB-UHFFFAOYSA-N +HMDB0001139 354.240624198 355.247900598 353.233347798 "Prostaglandin F2a" C20H34O5 PXGPLTODNUVGFL-UAAPODJFSA-N +HMDB0001185 399.145063566 400.152339966 398.137787166 S-Adenosylmethionine C15H23N6O5S MEFKEPWMEQBLKI-AIRLBKTGSA-O +HMDB0001189 179.094628665 180.101905065 178.087352265 2(N)-Methyl-norsalsolinol C10H13NO2 WETXYFNVBDLWIW-UHFFFAOYSA-N +HMDB0001198 625.303300807 626.310577207 624.296024407 "Leukotriene C4" C30H47N3O9S GWNVDXQDILPJIG-NXOLIXFESA-N +HMDB0001201 443.024329371 444.031605771 442.017052971 "Guanosine diphosphate" C10H15N5O11P2 QGWNDRXFNXRZMB-UUOKFMHZSA-N +HMDB0001220 352.224974134 353.232250534 351.217697734 "Prostaglandin E2" C20H32O5 XEYBRNLFEZDVAW-ARSRFYASSA-N +HMDB0001247 26.981538441 27.988814841 25.974262041 Aluminum Al XAGFODPZIPBFFR-UHFFFAOYSA-N +HMDB0001256 202.215746852 203.223023252 201.208470452 Spermine C10H26N4 PFNFFQXMRSDOHW-UHFFFAOYSA-N +HMDB0001257 145.157897623 146.165174023 144.150621223 Spermidine C7H19N3 ATHGHQPFGPMSJY-UHFFFAOYSA-N +HMDB0001259 102.031694058 103.038970458 101.024417658 "Succinic acid semialdehyde" C4H6O3 UIUJIQZEACWQSV-UHFFFAOYSA-N +HMDB0001273 522.990659781 523.997936181 521.983383381 "Guanosine triphosphate" C10H16N5O14P3 XKMLYUALXHKNFT-UUOKFMHZSA-N +HMDB0001302 97.905407846 98.912684246 96.898131446 Molybdenum Mo MMVYPOCJESWGTC-UHFFFAOYSA-N +HMDB0001310 89.047678473 90.054954873 88.040402073 D-Alanine C3H7NO2 QNAYBMKLOCPYGJ-UWTATZPHSA-N +HMDB0001311 90.031694058 91.038970458 89.024417658 "D-Lactic acid" C3H6O3 JVTAAEKCZFNVCJ-UWTATZPHSA-N +HMDB0001314 345.047434275 346.054710675 344.040157875 "Cyclic GMP" C10H12N5O7P ZOOGRGPOEVQQDX-UUOKFMHZSA-N +HMDB0001315 30.973761512 31.981037912 29.966485112 Phosphorus P OAICVXFJPJFONN-UHFFFAOYSA-N +HMDB0001325 188.152477894 189.159754294 187.145201494 N6,N6,N6-Trimethyl-L-lysine C9H20N2O2 MXNRLFUSFKVQSK-QMMMGPOBSA-N +HMDB0001327 84.911789341 85.919065741 83.904512941 Rubidium Rb NCCSSGKUIKYAJD-UHFFFAOYSA-N +HMDB0001333 54.938049636 55.945326036 53.930773236 Manganese Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N +HMDB0001336 168.042258744 169.049535144 167.034982344 "3,4-Dihydroxybenzeneacetic acid" C8H8O4 CFFZDZCDUFSOFZ-UHFFFAOYSA-N +HMDB0001341 427.029414749 428.036691149 426.022138349 ADP C10H15N5O10P2 XTWYTFMLZFPYCI-KQYNXXCUSA-N +HMDB0001348 731.606699942 732.613976342 730.599423542 SM(d18:1/18:0) C41H84N2O6P LKQLRGMMMAHREN-YJFXYUILSA-O +HMDB0001349 79.916521828 80.923798228 78.909245428 Selenium Se MFSBVGSNNPNWMD-UHFFFAOYSA-N +HMDB0001355 291.033029765 292.040306165 290.025753365 Parathion C10H14NO5PS LCCNCVORNKJIRZ-UHFFFAOYSA-N +HMDB0001372 425.044967696 426.052244096 424.037691296 "Thiamine pyrophosphate" C12H19N4O7P2S AYEKOFBPNLCAJY-UHFFFAOYSA-O +HMDB0001389 232.121177766 233.128454166 231.113901366 Melatonin C13H16N2O2 DRLFMBDRBRZALE-UHFFFAOYSA-N +HMDB0001396 459.186631567 460.193907967 458.179355167 "5-Methyltetrahydrofolic acid" C20H25N7O6 ZNOVTXRBGFNYRX-ZGTCLIOFSA-N +HMDB0001403 352.224974134 353.232250534 351.217697734 "Prostaglandin D2" C20H32O5 BHMBVRSPMRCCGG-OUTUXVNYSA-N +HMDB0001414 88.100048394 89.107324794 87.092771994 Putrescine C4H12N2 KIDHWZJUCRJVML-UHFFFAOYSA-N +HMDB0001419 402.349780716 403.357057116 401.342504316 24-Hydroxycholesterol C27H46O2 IOWMKBFJCNLRTC-XWXSNNQWSA-N +HMDB0001431 168.089877638 169.097154038 167.082601238 Pyridoxamine C8H12N2O2 NHZMQXZHNVQTQA-UHFFFAOYSA-N +HMDB0001432 130.121846468 131.129122868 129.114570068 Agmatine C5H14N4 QYPPJABKJHAVHS-UHFFFAOYSA-N +HMDB0001434 211.084457909 212.091734309 210.077181509 3-Methoxytyrosine C10H13NO4 PFDUUKDQEHURQC-UHFFFAOYSA-N +HMDB0001449 318.255880332 319.263156732 317.248603932 Allopregnanolone C21H34O2 AURFZBICLPNKBZ-SYBPFIFISA-N +HMDB0001452 352.224974134 353.232250534 351.217697734 "Thromboxane A2" C20H32O5 DSNBHJFQCNUKMA-SCKDECHMSA-N +HMDB0001453 57.975144695 58.982421095 56.967868295 Thiocyanate CNS ZMZDMBWJUHKJPS-UHFFFAOYSA-M +HMDB0001475 89.904703679 90.911980079 88.897427279 Zirconium Zr GBNDTYKAOXLLID-UHFFFAOYSA-N +HMDB0001478 71.949056008 72.956332408 70.941779608 Gallium GaH3 PHMDYZQXPPOZDG-UHFFFAOYSA-N +HMDB0001488 123.032028409 124.039304809 122.024752009 "Nicotinic acid" C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N +HMDB0001490 184.073558872 185.080835272 183.066282472 Vanylglycol C9H12O4 FBWPWWWZWKPJFL-UHFFFAOYSA-N +HMDB0001491 247.024573569 248.031849969 246.017297169 "Pyridoxal 5'-phosphate" C8H10NO6P NGVDGCNFYWLIFO-UHFFFAOYSA-N +HMDB0001496 402.349780716 403.357057116 401.342504316 7a-Hydroxycholesterol C27H46O2 OYXZMSRRJOYLLO-AWBHSAGMSA-N +HMDB0001509 352.224974134 353.232250534 351.217697734 "20-Hydroxy-leukotriene B4" C20H32O5 PTJFJXLGRSTECQ-PSPARDEHSA-N +HMDB0001522 73.063997239 74.071273639 72.056720839 Methylguanidine C2H7N3 CHJJGSNFBQVOTG-UHFFFAOYSA-N +HMDB0001539 202.14297584 203.15025224 201.13569944 "Asymmetric dimethylarginine" C8H18N4O2 YDGMGEXADBMOMJ-LURJTMIESA-N +HMDB0001545 167.058243159 168.065519559 166.050966759 Pyridoxal C8H9NO3 RADKZDMFGJYCBB-UHFFFAOYSA-N +HMDB0001565 184.073869485 185.081145885 183.066593085 Phosphorylcholine C5H15NO4P YHHSONZFOIEMCP-UHFFFAOYSA-O +HMDB0001644 150.05282343 151.06009983 149.04554703 D-Xylulose C5H10O5 ZAQJHHRNXZUBTE-WUJLRWPWSA-N +HMDB0001659 58.041864814 59.049141214 57.034588414 Acetone C3H6O CSCPPACGZOOCGX-UHFFFAOYSA-N +HMDB0001830 314.224580204 315.231856604 313.217303804 Progesterone C21H30O2 RJKFOVLPORLFTN-LEKSSAKUSA-N +HMDB0001842 59.048347175 60.055623575 58.041070775 Guanidine CH5N3 ZRALSGWEFCBTJO-UHFFFAOYSA-N +HMDB0001847 194.080375584 195.087651984 193.073099184 Caffeine C8H10N4O2 RYYVLZVUVIJVGH-UHFFFAOYSA-N +HMDB0001851 152.068473494 153.075749894 151.061197094 L-Arabitol C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N +HMDB0001855 177.078978601 178.086255001 176.071702201 5-Hydroxytryptophol C10H11NO2 KQROHCSYOGBQGJ-UHFFFAOYSA-N +HMDB0001859 151.063328537 152.070604937 150.056052137 Acetaminophen C8H9NO2 RZVAJINKPMORJF-UHFFFAOYSA-N +HMDB0001860 180.06472552 181.07200192 179.05744912 Paraxanthine C7H8N4O2 QUNWUDVFRNGTCO-UHFFFAOYSA-N +HMDB0001873 88.0524295 89.0597059 87.0451531 "Isobutyric acid" C4H8O2 KQNPFQTWMSNSAP-UHFFFAOYSA-N +HMDB0001875 32.02621475 33.03349115 31.01893835 Methanol CH4O OKKJLVBELUTLKV-UHFFFAOYSA-N +HMDB0001881 76.0524295 77.0597059 75.0451531 "Propylene glycol" C3H8O2 DNIAPMSPPWPWGF-UHFFFAOYSA-N +HMDB0001889 180.06472552 181.07200192 179.05744912 Theophylline C7H8N4O2 ZFXYFBGIUFBOJW-UHFFFAOYSA-N +HMDB0001893 430.381080844 431.388357244 429.373804444 alpha-Tocopherol C29H50O2 GVJHHUAWPYXKBD-IEOSBIPESA-N +HMDB0001896 191.094628665 192.101905065 190.087352265 5-Methoxytryptophol C11H13NO2 QLWKTGDEPLRFAT-UHFFFAOYSA-N +HMDB0001897 1346.728146002 1347.735422402 1345.720869602 "Substance P" C63H98N18O13S ADNPLDHMAVUMIW-SGTHPBLKSA-N +HMDB0001904 226.05897144 227.06624784 225.05169504 3-Nitrotyrosine C9H10N2O5 FBTSQILOGYXGMD-LURJTMIESA-N +HMDB0001920 271.193614427 272.200890827 270.186338027 Dextromethorphan C18H25NO MKXZASYAUGDDCJ-CGTJXYLNSA-N +HMDB0001925 206.13067982 207.13795622 205.12340342 Ibuprofen C13H18O2 HEFNNWSXXWATRW-UHFFFAOYSA-N +HMDB0001929 361.143784348 362.151060748 360.136507948 Levofloxacin C18H20FN3O4 GSDSWSVVBLHKDQ-JTQLQIEISA-N +HMDB0001959 231.158291553 232.165567953 230.151015153 Gamma-Aminobutyryl-lysine C10H21N3O3 OCBQYJFUZHJRIU-UHFFFAOYSA-N +HMDB0001960 123.933496699 124.940773099 122.926220299 Tin H4Sn PXQLTWWGPFDWNT-UHFFFAOYSA-N +HMDB0001966 47.947947053 48.955223453 46.940670653 Titanium Ti LCKIEQZJEYYRIY-UHFFFAOYSA-N +HMDB0001980 1055.431705989 1056.438982389 1054.424429589 Vasopressin C46H65N13O12S2 BJFIDCADFRDPIO-ZCCHBGLBSA-N +HMDB0001989 183.950932553 184.958208953 182.943656153 Tungsten W YFGRPIXHCIXTLM-UHFFFAOYSA-N +HMDB0002013 231.14705816 232.15433456 230.13978176 Butyrylcarnitine C11H21NO4 QWYFHHGCZUCMBN-SECBINFHSA-N +HMDB0002017 121.089149357 122.096425757 120.081872957 1-Phenylethylamine C8H11N RQEUFEKYXDPUSK-UHFFFAOYSA-N +HMDB0002024 126.042927446 127.050203846 125.035651046 "Imidazoleacetic acid" C5H6N2O2 PRJKNHOMHKJCEJ-UHFFFAOYSA-N +HMDB0002027 384.33921603 385.34649243 383.33193963 8-Dehydrocholesterol C27H44O VUKORTMHZDZZFR-BXAZICILSA-N +HMDB0002031 146.069142196 147.076418596 145.061865796 "Ureidoisobutyric acid" C5H10N2O3 PHENTZNALBMCQD-UHFFFAOYSA-N +HMDB0002032 167.044324429 168.051600829 166.037048029 8-Hydroxyguanine C5H5N5O2 CLGFIVUFZRGQRP-UHFFFAOYSA-N +HMDB0002038 160.121177766 161.128454166 159.113901366 N(6)-Methyllysine C7H16N2O2 PQNASZJZHFPQLE-LURJTMIESA-N +HMDB0002044 299.086583173 300.093859573 298.079306773 8-Hydroxyguanosine C10H13N5O6 FPGSEBKFEJEOSA-UMMCILCDSA-N +HMDB0002061 "Hyaluronic acid" (C14H21NO11)nH2O LJKKEBYAXYCTNF-GIXQJHCPSA-N +HMDB0002100 299.282429433 300.289705833 298.275153033 Palmitoylethanolamide C18H37NO2 HXYVTAGFYLMHSO-UHFFFAOYSA-N +HMDB0002103 402.349780716 403.357057116 401.342504316 27-Hydroxycholesterol C27H46O2 FYHRJWMENCALJY-YSQMORBQSA-N +HMDB0002111 18.010564686 19.017841086 17.003288286 Water H2O XLYOFNOQVPJJNP-UHFFFAOYSA-N +HMDB0002151 78.013935504 79.021211904 77.006659104 "Dimethyl sulfoxide" C2H6OS IAZDPXIOMUYVGZ-UHFFFAOYSA-N +HMDB0002174 1328.563777 1329.5710534 1327.5565006 Cobalamin C62H88CoN13O14P NSLAUEAQDBERRV-DSRCUDDDSA-L +HMDB0002175 27.976926533 28.984202933 26.969650133 Silicon Si RWMKKWXZFRMVPB-UHFFFAOYSA-N +HMDB0002179 62.995642896 64.002919296 61.988366496 Peroxynitrite HNO3 CMFNMSMUKZHDEY-UHFFFAOYSA-N +HMDB0002183 328.240230268 329.247506668 327.232953868 "Docosahexaenoic acid" C22H32O2 MBMBGCFOFBJSGT-KUBAVDMBSA-N +HMDB0002200 439.239244469 440.246520869 438.231968069 "Leukotriene E4" C23H37NO5S OTZRAYGBFWZKMX-FRFVZSDQSA-N +HMDB0002243 123.032028409 124.039304809 122.024752009 "Picolinic acid" C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N +HMDB0002265 338.245709576 339.252985976 337.238433176 14,15-DiHETrE C20H34O4 SYAWGTIVOGUZMM-ILYOTBPNSA-N +HMDB0002274 1343.587806391 1344.595082791 1342.580529991 Methylcobalamin C63H91CoN13O14P JEWJRMKHSMTXPP-WZHZPDAFSA-L +HMDB0002283 320.23514489 321.24242129 319.22786849 14R,15S-EpETrE C20H32O3 JBSCUHKPLGKXKH-LLZJRKGESA-N +HMDB0002290 74.921596417 75.928872817 73.914320017 Arsenic As LULLIKNODDLMDQ-UHFFFAOYSA-N +HMDB0002303 62.019020882 63.026297282 61.011744482 Dimethylsulfide C2H6S QMMFVYPAHWMCMS-UHFFFAOYSA-N +HMDB0002311 338.245709576 339.252985976 337.238433176 8,9-DiHETrE C20H34O4 DCJBINATHQHPKO-TYAUOURKSA-N +HMDB0002314 338.245709576 339.252985976 337.238433176 11,12-DiHETrE C20H34O4 LRPPQRCHCPFBPE-KROJNAHFSA-N +HMDB0002386 11.009305466 12.016581866 10.002029066 Boron B FRWDHMWMHYXNLW-UHFFFAOYSA-N +HMDB0002387 9.012182135 10.019458535 8.004905735 Beryllium Be PWOSZCQLSAMRQW-UHFFFAOYSA-N +HMDB0002457 57.935347922 58.942624322 56.928071522 Nickel Ni VEQPNABPJHWNSG-UHFFFAOYSA-N +HMDB0002500 78.918337647 79.925614047 77.911061247 Bromide Br CPELXLSAUQHCOX-UHFFFAOYSA-M +HMDB0002503 50.943963675 51.951240075 49.936687275 Vanadium V KOKKJWHERHSKEB-UHFFFAOYSA-N +HMDB0002659 106.90509302 107.91236942 105.89781662 Silver Ag FOIXSVOLVBLSDH-UHFFFAOYSA-N +HMDB0002666 344.070812254 345.078088654 343.063535854 "Thiamine monophosphate" C12H17N4O4PS HZSAJDVWZRBGIF-UHFFFAOYSA-N +HMDB0002712 164.068473494 165.075749894 163.061197094 1,5-Anhydrosorbitol C6H12O5 MPCAJMNYNOGXPB-SLPGGIOYSA-N +HMDB0002786 47.000728281 48.008004681 45.993451881 Nitrite HNO2 IOVCWXUNBOPUCH-UHFFFAOYSA-N +HMDB0002820 140.05857751 141.06585391 139.05130111 "Methylimidazoleacetic acid" C6H8N2O2 ZHCKPJGJQOPTLB-UHFFFAOYSA-N +HMDB0002825 180.06472552 181.07200192 179.05744912 Theobromine C7H8N4O2 YAPQBXQYLJRXSA-UHFFFAOYSA-N +HMDB0002865 1006.436457016 1007.443733416 1005.429180616 Oxytocin C43H66N12O12S2 XNOPRXBHLZRZKH-MQYCRUOZSA-N +HMDB0002878 61.987817871 62.995094271 60.980541471 Nitrate NO3 NHNBFGGVMKEFGY-UHFFFAOYSA-N +HMDB0002886 370.23553882 371.24281522 369.22826242 "6-Keto-prostaglandin F1a" C20H34O6 KFGOFTHODYBSGM-ZUNNJUQCSA-N +HMDB0002917 152.068473494 153.075749894 151.061197094 D-Xylitol C5H12O5 HEBKCHPVOIAQTA-NGQZWQHPSA-N +HMDB0002961 290.224580204 291.231856604 289.217303804 Dihydrotestosterone C19H30O2 NVKAWKQGWWIWPM-ABEVXSGRSA-N +HMDB0002994 122.057908808 123.065185208 121.050632408 Erythritol C4H10O4 UNXHWFMMPAWVPI-ZXZARUISSA-N +HMDB0003080 496.26070819 497.26798459 495.25343179 "Leukotriene D4" C25H40N2O6S YEESKJGWJFYOOK-IJHYULJSSA-N +HMDB0003157 175.059305791 176.066582191 174.052029391 "Guanidinosuccinic acid" C5H9N3O4 VVHOUVWJCQOYGG-REOHCLBHSA-N +HMDB0003208 296.307915902 297.315192302 295.300639502 Thromboxane C20H40O RZWIIPASKMUIAC-VQTJNVASSA-N +HMDB0003229 254.224580204 255.231856604 253.217303804 "Palmitoleic acid" C16H30O2 SECPZKHBENQXJG-FPLPWBNLSA-N +HMDB0003252 370.23553882 371.24281522 369.22826242 "Thromboxane B2" C20H34O6 XNRNNGPBEPRNAR-JQBLCGNGSA-N +HMDB0003332 264.030373428 265.037649828 263.023097028 "3-Methoxy-4-Hydroxyphenylglycol sulfate" C9H12O7S SBKADJXSGGTEPN-UHFFFAOYSA-N +HMDB0003337 612.151961898 613.159238298 611.144685498 "Oxidized glutathione" C20H32N6O12S2 YPZRWBKMTBYPTK-UHFFFAOYSA-N +HMDB0003366 58.041864814 59.049141214 57.034588414 Propanal C3H6O NBBJYMSMWIIQGU-UHFFFAOYSA-N +HMDB0003378 29.997988627 31.005265027 28.990712227 "Nitric oxide" NO MWUXSHHQAYIFBG-UHFFFAOYSA-N +HMDB0003379 257.909555916 258.916832316 256.902279516 Triphosphate H5O10P3 UNXRWKVEANCORM-UHFFFAOYSA-N +HMDB0003406 105.042593095 106.049869495 104.035316695 D-Serine C3H7NO3 MTCFGRXMJLQNBG-UWTATZPHSA-N +HMDB0003464 145.085126611 146.092403011 144.077850211 "4-Guanidinobutanoic acid" C5H11N3O2 TUHVEAJXIMEOSA-UHFFFAOYSA-N +HMDB0003625 201.970625604 202.977902004 200.963349204 Mercury Hg BQPIGGFYSBELGY-UHFFFAOYSA-N +HMDB0003626 193.110278729 194.117555129 192.103002329 (R)-N-Methylsalsolinol C11H15NO2 RKMGOUZXGHZLBJ-SSDOTTSWSA-N +HMDB0003638 113.903358121 114.910634521 112.896081721 Cadmium Cd WLZRMCYVCSSEQC-UHFFFAOYSA-N +HMDB0003642 87.905614339 88.912890739 86.898337939 Strontium Sr PWYYWQHXAPXYMF-UHFFFAOYSA-N +HMDB0003671 114.10446507 115.11174147 113.09718867 2-Heptanone C7H14O CATSNJVOTSVZJV-UHFFFAOYSA-N +HMDB0003869 275.148120797 276.155397197 274.140844397 Epsilon-(gamma-Glutamyl)-lysine C11H21N3O5 JPKNLFVGUZRHOB-YUMQZZPRSA-N +HMDB0003876 320.23514489 321.24242129 319.22786849 15(S)-HETE C20H32O3 JSFATNQSLKRBCI-VAEKSGALSA-N +HMDB0003892 193.110278729 194.117555129 192.103002329 (S)-N-Methylsalsolinol C11H15NO2 RKMGOUZXGHZLBJ-ZETCQYMHSA-N +HMDB0003933 378.20155335 379.20882975 377.19427695 Pentosidine C17H26N6O4 AYEKKSTZQYEZPU-RYUDHWBXSA-N +HMDB0004063 197.105193351 198.112469751 196.097916951 Metanephrine C10H15NO3 JWJCTZKFYGDABJ-UHFFFAOYSA-N +HMDB0004080 347.282429433 348.289705833 346.275153033 Anandamide C22H37NO2 LGEQQWMQCRIYKG-DOFZRALJSA-N +HMDB0004085 298.28718046 299.29445686 297.27990406 "Tuberculostearic acid" C19H38O2 BEOUGZFCUMNGOU-UHFFFAOYSA-N +HMDB0004087 223.136099549 224.143375949 222.128823149 1-Benzyl-1,2,3,4-tetrahydroisoquinoline C16H17N YRYCIFUZSUMAAY-UHFFFAOYSA-N +HMDB0004118 120.903818044 121.911094444 119.896541644 Antimony Sb FAWGZAFXDJGWBB-UHFFFAOYSA-N +HMDB0004136 122.057908808 123.065185208 121.050632408 D-Threitol C4H10O4 UNXHWFMMPAWVPI-QWWZWVQMSA-N +HMDB0004138 196.966551609 197.973828009 195.959275209 Gold Au ZBKIUFWVEIBQRT-UHFFFAOYSA-N +HMDB0004142 137.905241273 138.912517673 136.897964873 Barium Ba XDFCIPNJCBUZJN-UHFFFAOYSA-N +HMDB0004143 180.947996346 181.955272746 179.940719946 Tantalum Ta WTKKCYNZRWIVKL-UHFFFAOYSA-N +HMDB0004207 275.148120797 276.155397197 274.140844397 Glutamyllysine C11H21N3O5 BBBXWRGITSUJPB-YUMQZZPRSA-N +HMDB0004225 173.080041233 174.087317633 172.072764833 2-Oxoarginine C6H11N3O3 ARBHXJXXVVHMET-UHFFFAOYSA-N +HMDB0004236 334.214409448 335.221685848 333.207133048 "Prostaglandin B2" C20H30O4 PRFXRIUZNKLRHM-RYPCXPIFSA-N +HMDB0004259 264.11100701 265.11828341 263.10373061 Acetyl-N-formyl-5-methoxykynurenamine C13H16N2O4 JYWNYMJKURVPFH-UHFFFAOYSA-N +HMDB0004264 320.23514489 321.24242129 319.22786849 "14,15-Epoxy-5,8,11-eicosatrienoic acid" C20H32O3 JBSCUHKPLGKXKH-ILYOTBPNSA-N +HMDB0004362 156.115029756 157.122306156 155.107753356 4-Hydroxynonenal C9H16O2 JVJFIQYAHPMBBX-FNORWQNLSA-N +HMDB0004620 216.122240398 217.129516798 215.114963998 N-a-Acetyl-L-arginine C8H16N4O3 SNEIUMQYRCDYCH-LURJTMIESA-N +HMDB0004628 207.97663585 208.98391225 206.96935945 Lead Pb RVPVRDXYQKGNMQ-UHFFFAOYSA-N +HMDB0004645 336.073969576 337.081245976 335.066693176 S-Nitrosoglutathione C10H16N4O7S HYHSBSXUHZOYLX-WDSKDSINSA-N +HMDB0004659 280.31300128 281.32027768 279.30572488 8-Isoprostane C20H40 UKVVPDHLUHAJNZ-UXHICEINSA-N +HMDB0004666 378.277009704 379.284286104 377.269733304 2-Arachidonylglycerol C23H38O4 RCRCTBLIHCHWDZ-DOFZRALJSA-N +HMDB0004667 296.23514489 297.24242129 295.22786849 "13S-hydroxyoctadecadienoic acid" C18H32O3 HNICUWMFWZBIFP-IRQZEAMPSA-N +HMDB0004669 294.219494826 295.226771226 293.212218426 9-OxoODE C18H30O3 LUZSWWYKKLTDHU-ZJHFMPGASA-N +HMDB0004670 296.23514489 297.24242129 295.22786849 "Alpha-dimorphecolic acid" C18H32O3 NPDSHTNEKLQQIJ-UINYOVNOSA-N +HMDB0004679 320.23514489 321.24242129 319.22786849 8-HETE C20H32O3 NLUNAYAEIJYXRB-VYOQERLCSA-N +HMDB0004682 320.23514489 321.24242129 319.22786849 11(R)-HETE C20H32O3 GCZRCCHPLVMMJE-RSPKXIRXSA-N +HMDB0004701 296.23514489 297.24242129 295.22786849 "9,10-Epoxyoctadecenoic acid" C18H32O3 FBUKMFOXMZRGRB-YFHOEESVSA-N +HMDB0004702 296.23514489 297.24242129 295.22786849 12,13-EpOME C18H32O3 CCPPLLJZDQAOHD-FLIBITNWSA-N +HMDB0004704 314.245709576 315.252985976 313.238433176 9,10-DHOME C18H34O4 XEBKSQSGNGRGDW-YFHOEESVSA-N +HMDB0004705 314.245709576 315.252985976 313.238433176 12,13-DHOME C18H34O4 CQSLTKIXAJTQGA-FLIBITNWSA-N +HMDB0004710 330.240624198 331.247900598 329.233347798 9,10,13-TriHOME C18H34O5 NTVFQBIHLSPEGQ-SYMVGPSASA-N +HMDB0004983 94.008850126 95.016126526 93.001573726 "Dimethyl sulfone" C2H6O2S HHVIBTZHLRERCL-UHFFFAOYSA-N +HMDB0004988 140.05857751 141.06585391 139.05130111 "Pi-Methylimidazoleacetic acid" C6H8N2O2 UJCGYTCAMOHYCG-UHFFFAOYSA-N +HMDB0005021 383.166747749 384.174024149 382.159471349 Quetiapine C21H25N3O2S URKOMYMAXPYINW-UHFFFAOYSA-N +HMDB0005199 179.094628665 180.101905065 178.087352265 (R)-Salsolinol C10H13NO2 IBRKLUSXDYATLG-UHFFFAOYSA-N +HMDB0005768 337.175004249 338.182280649 336.167727849 Kyotorphin C15H23N5O4 JXNRXNCCROJZFB-RYUDHWBXSA-N +HMDB0005949 7.016004049 8.023280449 6.008727649 Lithium Li HBBGRARXTFLTSG-UHFFFAOYSA-N +HMDB0005994 100.088815006 101.096091406 99.081538606 Hexanal C6H12O JARKCYVAAOWBJS-UHFFFAOYSA-N +HMDB0005998 320.23514489 321.24242129 319.22786849 "20-Hydroxyeicosatetraenoic acid" C20H32O3 NNDIXBJHNLFJJP-DTLRTWKJSA-N +HMDB0006059 366.204238692 367.211515092 365.196962292 "20-Carboxy-leukotriene B4" C20H30O6 SXWGPVJGNOLNHT-VFLUTPEKSA-N +HMDB0006088 180.063388116 181.070664516 179.056111716 scyllo-Inositol C6H12O6 CDAISMWEOUEBRE-CDRYSYESSA-N +HMDB0006111 320.23514489 321.24242129 319.22786849 12-HETE C20H32O3 ZNHVWPKMFKADKW-FYMOKONMSA-N +HMDB0006112 72.021129372 73.028405772 71.013852972 Malondialdehyde C3H4O2 WSMYVTOQOOLQHP-UHFFFAOYSA-N +HMDB0006119 402.349780716 403.357057116 401.342504316 7b-Hydroxycholesterol C27H46O2 OYXZMSRRJOYLLO-KGZHIOMZSA-N +HMDB0006478 86.073164942 87.080441342 85.065888542 Iso-Valeraldehyde C5H10O YGHRJJRRZDOVPD-UHFFFAOYSA-N +HMDB0006483 133.037507717 134.044784117 132.030231317 "D-Aspartic acid" C4H7NO4 CKLJMWTZIZZHCS-UWTATZPHSA-N +HMDB0006695 228.11100701 229.11828341 227.10373061 Prolylhydroxyproline C10H16N2O4 ONPXCLZMBSJLSP-CSMHCCOUSA-N +HMDB0006730 609.239454997 610.246731397 608.232178597 QYNAD C25H35N7O11 WKBAPRRMZYHPNB-BXBUPLCLSA-N +HMDB0010169 703.575399814 704.582676214 702.568123414 SM(d18:1/16:0) C39H80N2O6P RWKUXQNLWDTSLO-GWQJGLRPSA-O +HMDB0010210 318.219494826 319.226771226 317.212218426 15-KETE C20H30O3 YGJTUEISKATQSM-USWFWKISSA-N +HMDB0010222 320.23514489 321.24242129 319.22786849 9-HETE C20H32O3 KATOYYZUTNAWSA-DLJQHUEDSA-N +HMDB0010223 296.23514489 297.24242129 295.22786849 9-HODE C18H32O3 NPDSHTNEKLQQIJ-SIGMCMEVSA-N +HMDB0010384 523.363789599 524.371065999 522.356513199 LysoPC(18:0) C26H54NO7P IHNKQIMGVNPMTC-RUZDIDTESA-N +HMDB0010395 543.332489471 544.339765871 542.325213071 LysoPC(20:4(5Z,8Z,11Z,14Z)) C28H50NO7P LAXQYRRMGGEGOH-JXRLJXCWSA-N +HMDB0010396 543.332489471 544.339765871 542.325213071 LysoPC(20:4(8Z,11Z,14Z,17Z)) C28H50NO7P GOMVPVRDBLLHQC-VEJNOCSESA-N +HMDB0010409 320.23514489 321.24242129 319.22786849 11,12-EpETrE C20H32O3 DXOYQVHGIODESM-IQCOFVSKSA-N +HMDB0011134 320.23514489 321.24242129 319.22786849 5-HETE C20H32O3 KGIJOOYOSFUGPC-JGKLHWIESA-N +HMDB0011620 125.929815379 126.937091779 124.922538979 Arsenite AsH3O3 GCPXMJHSNVMWNM-UHFFFAOYSA-N +HMDB0011697 815.700600326 816.707876726 814.693323926 SM(d18:1/24:0) C47H96N2O6P QEDPUVGSSDPBMD-XTAIVQBESA-O +HMDB0011698 843.731900454 844.739176854 842.724624054 SM(d18:1/26:0) C49H100N2O6P VRAWSAPVSSLIRI-MVUJCARGSA-O +HMDB0011738 275.111735291 276.119011691 274.104458891 N2-gamma-Glutamylglutamine C10H17N3O6 JBFYFLXEJFQWMU-WDSKDSINSA-N +HMDB0012100 728.583224846 729.590501246 727.575948446 SM(d18:1/18:1(11Z)) C41H81N2O6P FZMKZVXNTLAHFD-RTEXEOPXSA-N +HMDB0012101 728.583224846 729.590501246 727.575948446 SM(d18:1/18:1(9Z)) C41H81N2O6P NBEADXWAAWCCDG-QDDWGVBQSA-N +HMDB0012107 812.67712523 813.68440163 811.66984883 SM(d18:1/24:1(15Z)) C47H93N2O6P WKZHECFHXLTOLJ-QYKFWSDSSA-N +HMDB0012895 1027.400405861 1028.407682261 1026.393129461 "Arginine vasopressin 1-8" C44H61N13O12S2 SXYIOPJBWYQZRQ-VMPYSSHJSA-N +HMDB0012935 1474.912295913 1475.919572313 1473.905019513 "Dynorphin A" C69H116N23O13 ZIHYAUCIMOSJIH-QGLXRRFISA-O +HMDB0013072 1650.73230468 1651.73958108 1649.72502828 Somatostatin C77H106N18O19S2 KTEPWBJBSMMZIC-LJTSQLRWSA-N +HMDB0013122 507.368874977 508.376151377 506.361598577 LysoPC(P-18:0) C26H54NO6P WBOMIOWRFSPZMC-AYICAFKVSA-N +HMDB0013125 233.126322723 234.133599123 232.119046323 Hydroxypropionylcarnitine C10H19NO5 QJGJXKFJFRSERW-QMMMGPOBSA-N +HMDB0013128 246.169984677 247.177261077 245.162708277 Valerylcarnitine C12H24NO4 VSNFQQXVMPSASB-SNVBAGLBSA-O +HMDB0013461 840.708425358 841.715701758 839.701148958 SM(d18:1/26:1(17Z)) C49H97N2O6P YXEXWUZHFGYOHJ-UOJCCMJYSA-N +HMDB0013462 688.515539212 689.522815612 687.508262812 SM(d18:0/14:1(9Z)(OH)) C37H73N2O7P ZNHNJXWKKQKMBU-POWUNZFVSA-N +HMDB0013463 716.54683934 717.55411574 715.53956294 SM(d18:0/16:1(9Z)(OH)) C39H77N2O7P LPHMSPONPQCKTL-FKUNDBCPSA-N +HMDB0013464 702.567574782 703.574851182 701.560298382 SM(d18:0/16:1(9Z)) C39H79N2O6P CGVOQSQIYSUXAT-PPLFXBRHSA-N +HMDB0013465 754.59887491 755.60615131 753.59159851 SM(d18:0/20:2(11Z,14Z)) C43H83N2O6P YVTVVJRJLRHYSJ-XJRFMCMQSA-N +HMDB0013466 800.640739724 801.648016124 799.633463324 SM(d18:0/22:1(13Z)(OH)) C45H89N2O7P ZUSFLIGNJFDBRL-FYGIKZFGSA-N +HMDB0013467 798.62508966 799.63236606 797.61781326 SM(d18:0/22:2(13Z,16Z)(OH)) C45H87N2O7P DRKCMBAZIYFIGX-ZWLRGCNFSA-N +HMDB0013469 828.672039852 829.679316252 827.664763452 SM(d18:0/24:1(15Z)(OH)) C47H93N2O7P IOOMOQUTKQGEFH-BSZNTFKYSA-N +HMDB0013667 88.905847902 89.913124302 87.898571502 Yttrium Y VWQVUPCCIRVNHF-UHFFFAOYSA-N +HMDB0013668 101.904349503 102.911625903 100.897073103 Ruthenium Ru KJTLSVCANCCWHF-UHFFFAOYSA-N +HMDB0013669 132.90544687 133.91272327 131.89817047 Cesium Cs TVFDJXOCXUVLDH-UHFFFAOYSA-N +HMDB0013670 105.903483087 106.910759487 104.896206687 Palladium Pd KDLHZDBZIXYQEI-UHFFFAOYSA-N +HMDB0013671 194.964774449 195.972050849 193.957498049 Platinum Pt BASFCYQUMIYNBI-UHFFFAOYSA-N +HMDB0013672 139.905434035 140.912710435 138.898157635 Cerium Ce GWXLDORMOJMVQZ-UHFFFAOYSA-N +HMDB0015532 63.929146578 64.936422978 62.921870178 Zinc Zn HCHKCACWOHOZIP-UHFFFAOYSA-N +HMDB0029147 275.111735279 276.119011679 274.104458879 N-gamma-Glutamylglutamine C10H17N3O6 FCWNOQOVMGNKNG-WDSKDSINSA-N +HMDB0059655 148.037173366 149.044449766 147.029896966 2-Hydroxyglutarate C5H8O5 HWXBTNAVRSUOJR-UHFFFAOYSA-N
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/out02.tabular Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,138 @@ +HMDB_ID COMMON_NAME CAS FORMULA MZ_MONO MZ_AVERAGE MZ_[M+H]+ MZ_[M-H]- KEGG_ID BIOCYC_ID INCHI LOCATION TAXONOMY IUPAC +HMDB00020 "p-Hydroxyphenylacetic acid" 156-38-7 C8H8O3 152.047348 152.147 153.0546244 151.0400716 C00642 4-HYDROXYPHENYLACETATE InChI=1/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) Rumen "Organic acids" "2-(4-hydroxyphenyl)acetic acid" +HMDB00033 Carnosine 305-84-0 C9H14N4O3 226.106583 226.232 227.1138594 225.0993066 C00386 CARNOSINE InChI=1/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid" +HMDB00039 "Butyric acid" 107-92-6 C4H8O2 88.052429 88.105 89.0597054 87.0451526 C00246 "Not Available" InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) Rumen "Organic acids" "Butanoic acid" +HMDB00042 "Acetic acid" 64-19-7 C2H4O2 60.021130 60.052 61.0284064 59.0138536 C00033 ACET InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4) Rumen "Organic acids" "acetic acid" +HMDB00060 "Acetoacetic acid" 541-50-4 C4H6O3 102.031693 102.089 103.0389694 101.0244166 C00164 3-KETOBUTYRATE InChI=1/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7) Rumen "Organic acids" "3-oxobutanoic acid" +HMDB00097 Choline 62-49-7 C5H14NO 104.107536 104.171 105.1148124 103.1002596 C00114 CPD-563 InChI=1/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 Rumen "Amino acids and Amino Acid conjugates" 2-hydroxyethyl-trimethyl-ammonium +HMDB00108 Ethanol 64-17-5 C2H6O 46.041866 46.068 47.0491424 45.0345896 C00469 ETOH InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3 Rumen Alcohols ethanol +HMDB00122 D-Glucose 50-99-7 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00031 GLC InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6u/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (3R,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol +HMDB00123 Glycine 56-40-6 C2H5NO2 75.032028 75.067 76.0393044 74.0247516 C00037 GLY InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) Rumen "Amino acids and Amino Acid conjugates" "2-aminoacetic acid" +HMDB00131 Glycerol 56-81-5 C3H8O3 92.047340 92.094 93.0546164 91.0400636 C00116 GLYCEROL InChI=1/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 Rumen Alcohols 1,2,3-Propanetriol +HMDB00134 "Fumaric acid" 110-17-8 C4H4O4 116.010956 116.072 117.0182324 115.0036796 C00122 FUM InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+ Rumen "Organic acids" "(E)-2-Butenedioic acid" +HMDB00142 "Formic acid" 64-18-6 CH2O2 46.005478 46.025 47.0127544 44.9982016 C00058 FORMATE InChI=1/CH2O2/c2-1-3/h1H,(H,2,3) Rumen "Organic acids" "Formic acid" +HMDB00143 D-Galactose 59-23-4 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00124 GALACTOSE InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" alpha-D-galactopyranose +HMDB00149 Ethanolamine 141-43-5 C2H7NO 61.052765 61.083 62.0600414 60.0454886 C00189 ETHANOL-AMINE InChI=1/C2H7NO/c3-1-2-4/h4H,1-3H2 Rumen Alcohols 2-aminoethanol +HMDB00157 Hypoxanthine 68-94-0 C5H4N4O 136.038513 136.111 137.0457894 135.0312366 C00262 HYPOXANTHINE InChI=1/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) Rumen "Nucleosides and Nucleoside conjugates" 3,7-dihydropurin-6-one +HMDB00158 L-Tyrosine 60-18-4 C9H11NO3 181.073898 181.189 182.0811744 180.0666216 C00082 TYR InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2-amino-3-(4-hydroxyphenyl)-propanoic acid" +HMDB00159 L-Phenylalanine 63-91-2 C9H11NO2 165.078979 165.189 166.0862554 164.0717026 C00079 PHE InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2-amino-3-phenyl-propanoic acid" +HMDB00161 L-Alanine 56-41-7 C3H7NO2 89.047676 89.093 90.0549524 88.0403996 C00041 L-ALPHA-ALANINE InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-aminopropanoic acid" +HMDB00162 L-Proline 147-85-3 C5H9NO2 115.063332 115.131 116.0706084 114.0560556 C00148 PRO InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-pyrrolidine-2-carboxylic acid" +HMDB00163 D-Maltose 69-79-4 C12H22O11 342.116211 342.297 343.1234874 341.1089346 C00208 MALTOSE InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9-,10-,11+,12-/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol +HMDB00164 Methylamine 74-89-5 CH5N 31.042198 31.057 32.0494744 30.0349216 C00218 CPD-4521 InChI=1/CH5N/c1-2/h2H2,1H3 Rumen Amines methanamine +HMDB00167 L-Threonine 72-19-5 C4H9NO3 119.058243 119.119 120.0655194 118.0509666 C00188 THR InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 Rumen "Amino acids and Amino Acid conjugates" "2-amino-3-hydroxy-butanoic acid" +HMDB00169 D-Mannose 3458-28-4 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00159 MANNOSE InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol +HMDB00172 L-Isoleucine 73-32-5 C6H13NO2 131.094635 131.173 132.1019114 130.0873586 C00407 ILE InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2-amino-3-methylpentanoic acid" +HMDB00174 L-Fucose 2438-80-4 C6H12O5 164.068481 164.156 165.0757574 163.0612046 C01019 L-FUCOSE InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol +HMDB00177 L-Histidine 71-00-1 C6H9N3O2 155.069473 155.155 156.0767494 154.0621966 C00135 HIS InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2-amino-3-(3H-imidazol-4-yl)propanoic acid" +HMDB00182 L-Lysine 56-87-1 C6H14N2O2 146.105530 146.188 147.1128064 145.0982536 C00047 LYS InChI=1/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2,6-diaminohexanoic acid" +HMDB00187 L-Serine 56-45-1 C3H7NO3 105.042595 105.093 106.0498714 104.0353186 C00065 SER InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2-amino-3-hydroxy-propanoic acid" +HMDB00190 "L-Lactic acid" 79-33-4 C3H6O3 90.031693 90.078 91.0389694 89.0244166 C00186 L-LACTATE InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1 Rumen "Organic acids" "(2S)-2-hydroxypropanoic acid" +HMDB00191 "L-Aspartic acid" 56-84-8 C4H7NO4 133.037506 133.103 134.0447824 132.0302296 C00049 L-ASPARTATE InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2-aminobutanedioic acid" +HMDB00202 "Methylmalonic acid" 516-05-2 C4H6O4 118.026611 118.088 119.0338874 117.0193346 C02170 "Not Available" InChI=1/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) Rumen "Organic acids" "2-methylpropanedioic acid" +HMDB00205 "Phenylpyruvic acid" 156-06-9 C9H8O3 164.047348 164.158 165.0546244 163.0400716 C00166 PHENYL-PYRUVATE InChI=1/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12) Rumen "Organic acids" "2-oxo-3-phenyl-propanoic acid" +HMDB00207 "Oleic acid" 112-80-1 C18H34O2 282.255890 282.461 283.2631664 281.2486136 C00712 OLEATE-CPD InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- Rumen "Organic acids" "9-Octadecenoic acid" +HMDB00209 "Phenylacetic acid" 103-82-2 C8H8O2 136.052429 136.148 137.0597054 135.0451526 C07086 PHENYLACETATE InChI=1/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) Rumen "Organic acids" "2-phenylacetic acid" +HMDB00214 Ornithine 70-26-8 C5H12N2O2 132.089874 132.161 133.0971504 131.0825976 C00077 L-ORNITHINE InChI=1/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2,5-diaminopentanoic acid" +HMDB00215 N-Acetyl-D-glucosamine 7512-17-6 C8H15NO6 221.089935 221.208 222.0972114 220.0826586 C00140 ALPHA-D-GALACTOSYL-13-BETA-D-GALACTOS InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m0/s1 Rumen "Carbohydrates and Carbohydrate conjugates" N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide +HMDB00220 "Palmitic acid" 57-10-3 C16H32O2 256.240234 256.424 257.2475104 255.2329576 C00249 CPD-8475 InChI=1/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) Rumen "Organic acids" "Hexadecanoic acid" +HMDB00222 L-Palmitoylcarnitine 2364-67-2 C23H45NO4 399.334869 399.608 400.3421454 398.3275926 C02990 CPD-419 InChI=1/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1 Rumen "Amino acids and Amino Acid conjugates" (3R)-3-hexadecanoyloxy-4-trimethylazaniumylbutanoate +HMDB00235 Thiamine 59-43-8 C12H17N4OS 265.112305 265.355 266.1195814 264.1050286 C00378 THIAMINE InChI=1/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1 Rumen Miscellanous 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1-thia-3-azoniacyclopenta-2,4-dien-5-yl]ethanol +HMDB00237 "Propionic acid" 79-09-4 C3H6O2 74.036781 74.078 75.0440574 73.0295046 C00163 PROPIONATE InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) Rumen "Organic acids" "Propanoic acid" +HMDB00251 Taurine 107-35-7 C2H7NO3S 125.014664 125.147 126.0219404 124.0073876 C00245 "Not Available" InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) Rumen "Amino acids and Amino Acid conjugates" "2-amino-Ethanesulfonic acid" +HMDB00254 "Succinic acid" 110-15-6 C4H6O4 118.026611 118.088 119.0338874 117.0193346 C00042 SUC InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) Rumen "Organic acids" "Butanedioic acid" +HMDB00259 Serotonin 50-67-9 C10H12N2O 176.094955 176.215 177.1022314 175.0876786 C00780 "Not Available" InChI=1/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 Rumen "Heterocyclic molecules" 3-(2-aminoethyl)-1H-Indol-5-ol +HMDB00262 Thymine 65-71-4 C5H6N2O2 126.042931 126.113 127.0502074 125.0356546 C00178 THYMINE InChI=1/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) Rumen "Nucleosides and Nucleoside conjugates" 5-methyl-2,4(1H,3H)-pyrimidinedione +HMDB00267 "Pyroglutamic acid" 98-79-3 C5H7NO3 129.042587 129.114 130.0498634 128.0353106 C01879 CPD-589 InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-5-oxopyrrolidine-2-carboxylic acid" +HMDB00271 Sarcosine 107-97-1 C3H7NO2 89.047676 89.093 90.0549524 88.0403996 C00213 SARCOSINE InChI=1/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) Rumen "Amino acids and Amino Acid conjugates" "2-methylaminoacetic acid" +HMDB00283 D-Ribose 50-69-1 C5H10O5 150.052826 150.130 151.0601024 149.0455496 C00121 CPD-560 InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (3R,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol +HMDB00292 Xanthine 69-89-6 C5H4N4O2 152.033432 152.111 153.0407084 151.0261556 C00385 XANTHINE InChI=1/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) Rumen "Nucleosides and Nucleoside conjugates" 2,6-dihydroxypurin +HMDB00294 Urea 57-13-6 CH4N2O 60.032364 60.055 61.0396404 59.0250876 C00086 UREA InChI=1/CH4N2O/c2-1(3)4/h(H4,2,3,4) Rumen "Ketones and Aldehydes" Urea +HMDB00300 Uracil 66-22-8 C4H4N2O2 112.027275 112.087 113.0345514 111.0199986 C00106 URACIL InChI=1/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) Rumen "Nucleosides and Nucleoside conjugates" 2,4(1H,3H)-Pyrimidinedione +HMDB00357 "3-Hydroxybutyric acid" 300-85-6 C4H8O3 104.047340 104.104 105.0546164 103.0400636 C01089 CPD-335 InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) Rumen "Organic acids" "3-hydroxybutanoic acid" +HMDB00440 "3-Hydroxyphenylacetic acid" 621-37-4 C8H8O3 152.047348 152.147 153.0546244 151.0400716 C05593 3-HYDROXYPHENYLACETATE InChI=1/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) Rumen "Organic acids" "2-(3-hydroxyphenyl)acetic acid" +HMDB00464 Calcium 7440-70-2 [Ca]2+ 39.962589 40.078 40.9698654 38.9553126 C00076 CA%2b2 InChI=1/Ca/q+2 Rumen "Inorganic compounds" calcium +HMDB00516 Beta-D-Glucose 492-61-5 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00221 "Not Available" InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol +HMDB00517 L-Arginine 74-79-3 C6H14N4O2 174.111679 174.201 175.1189554 173.1044026 C00062 ARG InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid" +HMDB00610 CE(18:2(9Z,12Z)) 604-33-1 C45H76O2 648.584534 649.084 649.5918104 647.5772576 C15441 Cholesterol-esters InChI=1/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1 Rumen "Cholesterols and derivatives" [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dode +HMDB00641 L-Glutamine 56-85-9 C5H10N2O3 146.069138 146.145 147.0764144 145.0618616 C00064 GLN InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-amino-4-carbamoyl-butanoic acid" +HMDB00658 CE(16:1(9Z)) 16711-66-3 C43H74O2 622.568909 623.047 623.5761854 621.5616326 C02530 Cholesterol-esters InChI=1/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12-/t34-,36?,37?,38-,39?,40?,42+,43-/m1/s1 Rumen "Cholesterols and derivatives" [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2, +HMDB00660 D-Fructose 53188-23-1 C6H12O6 180.063385 180.156 181.0706614 179.0561086 "C02336; C00095" CPD-535 InChI=1/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol +HMDB00673 "Linoleic acid" 60-33-3 C18H32O2 280.240234 280.445 281.2475104 279.2329576 C01595 "Not Available" InChI=1/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- Rumen "Organic acids" "9,12-Octadecadienoic acid" +HMDB00684 L-Kynurenine 343-65-7 C10H12N2O3 208.084793 208.214 209.0920694 207.0775166 C01718 L-KYNURENINE InChI=1/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid" +HMDB00687 L-Leucine 61-90-5 C6H13NO2 131.094635 131.173 132.1019114 130.0873586 C00123 LEU InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-amino-4-methyl-pentanoic acid" +HMDB00696 L-Methionine 63-68-3 C5H11NO2S 149.051056 149.211 150.0583324 148.0437796 C00073 MET InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-amino-4-methylsulfanyl-butanoic acid" +HMDB00710 "4-Hydroxybutyric acid" 591-81-1 C4H8O3 104.047340 104.104 105.0546164 103.0400636 C00989 CPD-3193 InChI=1/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7) Rumen "Organic acids" "4-hydroxy-butanoic acid" +HMDB00718 "Isovaleric acid" 503-74-2 C5H10O2 102.068077 102.132 103.0753534 101.0608006 C08262 "Not Available" InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) Rumen "Organic acids" "3-methyl-butanoic acid" +HMDB00738 Indole 120-72-9 C8H7N 117.057846 117.148 118.0651224 116.0505696 C00463 INDOLE InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H Rumen "Heterocyclic molecules" 1H-indole +HMDB00764 "Hydrocinnamic acid" 501-52-0 C9H10O2 150.068085 150.174 151.0753614 149.0608086 C05629 "Not Available" InChI=1/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) Rumen "Organic acids" "Benzenepropanoic acid" +HMDB00806 "Myristic acid" 544-63-8 C14H28O2 228.208923 228.371 229.2161994 227.2016466 C06424 "Not Available" InChI=1/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) Rumen "Organic acids" "tetradecanoic acid" +HMDB00821 Phenylacetylglycine 500-98-1 C10H11NO3 193.073898 193.199 194.0811744 192.0666216 C05596 "Not Available" InChI=1/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14) Rumen "Amino acids and Amino Acid conjugates" "2-(2-phenylacetyl)aminoacetic acid" +HMDB00824 Propionylcarnitine 17298-37-2 C10H19NO4 217.131409 217.262 218.1386854 216.1241326 C03017 "Not Available" InChI=1/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3 Rumen "Amino acids and Amino Acid conjugates" 3-propanoyloxy-4-trimethylammonio-butanoate +HMDB00826 "Pentadecanoic acid" 1002-84-2 C15H30O2 242.224579 242.398 243.2318554 241.2173026 "Not Available" "Not Available" InChI=1/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17) Rumen "Organic acids" "Pentadecanoic acid" +HMDB00827 "Stearic acid" 57-11-4 C18H36O2 284.271515 284.477 285.2787914 283.2642386 C01530 STEARIC_ACID InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) Rumen "Organic acids" "Octadecanoic acid" +HMDB00863 "Isopropyl alcohol" 67-63-0 C3H8O 60.057514 60.095 61.0647904 59.0502376 "Not available" "Not Available" InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3 Rumen Alcohols propan-2-ol +HMDB00870 Histamine 51-45-6 C5H9N3 111.079643 111.145 112.0869194 110.0723666 C00388 HISTAMINE InChI=1/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) Rumen "Amino acids and Amino Acid conjugates" 2-(3H-imidazol-4-yl)ethanamine +HMDB00883 L-Valine 72-18-4 C5H11NO2 117.078979 117.146 118.0862554 116.0717026 C00183 VAL InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-amino-3-methyl-butanoic acid" +HMDB00885 CE(16:0) 601-34-3 C43H76O2 624.584534 625.062 625.5918104 623.5772576 C11251 Cholesterol-esters InChI=1/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1 Rumen "Cholesterols and derivatives" "[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate" +HMDB00892 "Valeric acid" 109-52-4 C5H10O2 102.068077 102.132 103.0753534 101.0608006 C00803 "Not Available" InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) Rumen "Organic acids" "pentanoic acid" +HMDB00904 Citrulline 372-75-8 C6H13N3O3 175.095688 175.186 176.1029644 174.0884116 C00327 L-CITRULLINE InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-amino-5-(carbamoylamino)pentanoic acid" +HMDB00918 CE(18:1(9Z)) 303-43-5 C45H78O2 650.600159 651.100 651.6074354 649.5928826 C14641 Cholesterol-esters InChI=1/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1 Rumen "Cholesterols and derivatives" "[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate" +HMDB00929 L-Tryptophan 73-22-3 C11H12N2O2 204.089874 204.225 205.0971504 203.0825976 C00078 TRP InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 Rumen "Amino acids and Amino Acid conjugates" "(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid" +HMDB00954 "trans-Ferulic acid" 537-98-4 C10H10O4 194.057907 194.184 195.0651834 193.0506306 "Not Available" "Not Available" InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ Rumen Alcohols "3-(4-hydroxy-3-methoxyphenyl)-prop-2-enoic acid" +HMDB00958 "trans-Aconitic acid" 4023-65-8 C6H6O6 174.016434 174.108 175.0237104 173.0091576 C02341 CPD-225 InChI=1/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+ Rumen "Organic acids" "(E)-prop-1-ene-1,2,3-tricarboxylic acid" +HMDB01088 Butyryl-CoA 2140-48-9 C25H42N7O17P3S 837.157104 837.624 838.1643804 836.1498276 C00136 CPD-12174 InChI=1/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19?,23-/m1/s1 Rumen "Nucleosides and Nucleoside conjugates" "[5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-butanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-pho<br>sphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid" +HMDB01151 Allose 6038-51-3 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C01487 D-ALLOSE-6-PHOSPHATE InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m0/s1 Rumen "Carbohydrates and Carbohydrate conjugates" 6-(hydroxymethyl)oxane-2,3,4,5-tetrol +HMDB01266 L-Sorbose 87-79-6 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00247 SORBOSE InChI=1/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1 Rumen "Carbohydrates and Carbohydrate conjugates" 2-(hydroxymethyl)oxane-2,3,4,5-tetrol +HMDB01311 "D-Lactic acid" 10326-41-7 C3H6O3 90.031693 90.078 91.0389694 89.0244166 C00256 D-LACTATE InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1 Rumen "Organic acids" "(2R)-2-hydroxypropanoic acid" +HMDB01414 Putrescine 110-60-1 C4H12N2 88.100044 88.151 89.1073204 87.0927676 C00134 PUTRESCINE InChI=1/C4H12N2/c5-3-1-2-4-6/h1-6H2 Rumen Amines butane-1,4-diamine +HMDB01429 Phosphate 14265-44-2 [PO4]3- 94.953423 94.971 95.9606994 93.9461466 C00009 CPD-8587 InChI=1/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 Rumen "Inorganic compounds" phosphate +HMDB01488 "Nicotinic acid" 59-67-6 C6H5NO2 123.032028 123.109 124.0393044 122.0247516 C00253 NIACINE InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) Rumen "Amino acids and Amino Acid conjugates" "pyridine-3-carboxylic acid" +HMDB01847 Caffeine 58-08-2 C8H10N4O2 194.080383 194.191 195.0876594 193.0731066 C07481 "Not Available" InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 Rumen "Nucleosides and Nucleoside conjugates" 1,3,7-trimethylpurine-2,6-dione +HMDB01873 "Isobutyric acid" 79-31-2 C4H8O2 88.052429 88.105 89.0597054 87.0451526 C02632 ISOBUTANOATE InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) Rumen "Organic acids" "isobutyric acid" +HMDB01882 Dihydroxyacetone 96-26-4 C3H6O3 90.031693 90.078 91.0389694 89.0244166 C00184 1-ACYL-GLYCERONE-3-PHOSPHATE InChI=1/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2 Rumen Alcohols 1,3-dihydroxypropan-2-one +HMDB02005 "Methionine sulfoxide" 62697-73-8 C5H11NO3S 165.045959 165.211 166.0532354 164.0386826 "Not Available" L-METHIONINE_SULFOXIDE InChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) Rumen "Amino acids and Amino Acid conjugates" "2-amino-4-methylsulfinyl-butanoic acid" +HMDB02322 Cadaverine 462-94-2 C5H14N2 102.115700 102.178 103.1229764 101.1084236 C01672 CADAVERINE InChI=1/C5H14N2/c6-4-2-1-3-5-7/h1-7H2 Rumen Amines pentane-1,5-diamine +HMDB02366 Tiglylcarnitine 64191-86-2 C12H21NO4 243.147064 243.299 244.1543404 242.1397876 "Not Available" "Not Available" InChI=1/C12H21NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h6,10H,7-8H2,1-5H3/b9-6+ Rumen "Amino acids and Amino Acid conjugates" "Not Available" +HMDB03081 Beta-D-Fucose 28161-52-6 C6H12O5 164.068481 164.156 165.0757574 163.0612046 C02095 "Not Available" InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (2R,3R,4S,5S,6R)-6-methyloxane-2,3,4,5-tetrol +HMDB03229 "Palmitoleic acid" 373-49-9 C16H30O2 254.224579 254.408 255.2318554 253.2173026 C08362 CPD-724 InChI=1/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- Rumen "Organic acids" "(E)-hexadec-9-enoic acid" +HMDB03339 "D-Glutamic acid" 6893-26-1 C5H9NO4 147.053162 147.129 148.0604384 146.0458856 C00217 GAMMA-GLUTAMYL-D-GLUTAMATE InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1 Rumen "Amino acids and Amino Acid conjugates" "(2R)-2-aminopentanedioic acid" +HMDB03345 Alpha-D-Glucose 492-62-6 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00267 ALPHA-GLUCOSE-16-BISPHOSPHATE InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" alpha-D-glucopyranose +HMDB03418 D-Tagatose 87-81-0 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00795 TAGATOSE InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one +HMDB03449 Beta-D-Galactose 7296-64-2 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C00962 ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol +HMDB04461 Benzamide 55-21-0 C7H7NO 121.052765 121.137 122.0600414 120.0454886 C09815 SAM InChI=1/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) Rumen "Ketones and Aldehydes" benzamide +HMDB06469 "Linoleyl carnitine" 36816-10-1 C25H45NO4 423.334869 423.629 424.3421454 422.3275926 "Not Available" "Not Available" InChI=1/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9-,13-12-/t23-/m1/s1 Rumen "Amino acids and Amino Acid conjugates" "Not Available" +HMDB06725 CE(14:0) 1989-52-2 C41H72O2 596.553223 597.009 597.5604994 595.5459466 "Not Available" "Not Available" InChI=1/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1 Rumen "Cholesterols and derivatives" 1-tetradecanoyl-cholesterol +HMDB06727 CE(22:0) 61510-09-6 C49H88O2 708.678406 709.222 709.6856824 707.6711296 C02530 Cholesterol-esters InChI=1/C49H88O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h30,39-40,42-46H,7-29,31-38H2,1-6H3/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1 Rumen "Cholesterols and derivatives" 1-docosanoyl-cholesterol +HMDB06740 CE(20:0) 2573-03-7 C47H84O2 680.647156 681.169 681.6544324 679.6398796 C02530 Cholesterol-esters InChI=1/C47H84O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h28,37-38,40-44H,7-27,29-36H2,1-6H3/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1 Rumen "Cholesterols and derivatives" 1-eicosanoyl-cholesterol +HMDB06857 Dextrin 9004-53-9 C18H32O16 504.169037 504.437 505.1763134 503.1617606 C00721 "Not Available" InChI=1/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17?,18?/m1/s1 Rumen "Carbohydrates and Carbohydrate conjugates" "sodium (2-hydroxy-3-octadec-9-enoyloxypropyl) hydrogen phosphate" +HMDB10169 SM(d18:1/16:0) "Not Available" C39H80N2O6P 703.575378 704.036 704.5826544 702.5681016 C00550 "Not Available" InChI=1/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/p+1/b32-30+/t37-,38+/m0/s1 Rumen Lipids 2-[[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium +HMDB10368 CE(18:0) "Not Available" C45H80O2 652.615845 653.115 653.6231214 651.6085686 C02530 Cholesterol-esters InChI=1/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3/t36-,38+,39?,40?,41?,42?,44+,45-/m1/s1 Rumen "Cholesterols and derivatives" 1-octadecanoyl-cholesterol +HMDB10372 CE(22:1(13Z)) "Not Available" C49H86O2 706.662781 707.206 707.6700574 705.6555046 "Not Available" "Not Available" InChI=1/C49H86O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h14-15,30,39-40,42-46H,7-13,16-29,31-38H2,1-6H3/b15-14-/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1 Rumen "Cholesterols and derivatives" 1-(13Z-docosenoyl)-cholesterol +HMDB10376 CE(24:0) "Not Available" C51H92O2 736.709717 737.275 737.7169934 735.7024406 "Not Available" "Not Available" InChI=1/C51H92O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-49(52)53-44-36-38-50(5)43(40-44)32-33-45-47-35-34-46(42(4)30-28-29-41(2)3)51(47,6)39-37-48(45)50/h32,41-42,44-48H,7-31,33-40H2,1-6H3/t42-,44+,45?,46?,47?,48?,50+,51-/m1/s1 Rumen "Cholesterols and derivatives" 1-tetracosanoyl-cholesterol +HMDB10383 LysoPC(16:1(9Z)) "Not Available" C24H48NO7P 493.316833 493.614 494.3241094 492.3095566 C04230 PHOSPHATIDYLCHOLINE InChI=1/C24H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h10-11,23,26H,5-9,12-22H2,1-4H3/b11-10-/t23-/m1/s1 Rumen Lipids 1-(9Z-hexadecenoyl)-glycero-3-phosphocholine +HMDB10384 LysoPC(18:0) "Not Available" C26H54NO7P 523.363770 523.683 524.3710464 522.3564936 C04230 PHOSPHATIDYLCHOLINE InChI=1/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1 Rumen Lipids 1-octadecanoyl-glycero-3-phosphocholine +HMDB10385 LysoPC(18:1(11Z)) "Not Available" C26H52NO7P 521.348145 521.667 522.3554214 520.3408686 C04230 PHOSPHATIDYLCHOLINE InChI=1/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h10-11,25,28H,5-9,12-24H2,1-4H3/b11-10-/t25-/m1/s1 Rumen Lipids 1-(11Z-octadecenoyl)-glycero-3-phosphocholine +HMDB10386 LysoPC(18:2(9Z,12Z)) "Not Available" C26H50NO7P 519.332520 519.651 520.3397964 518.3252436 C04230 PHOSPHATIDYLCHOLINE InChI=1/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1 Rumen Lipids 1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphocholine +HMDB10395 LysoPC(20:4(5Z,8Z,11Z,14Z)) "Not Available" C28H50NO7P 543.332520 543.673 544.3397964 542.3252436 C04230 PHOSPHATIDYLCHOLINE InChI=1/C28H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,15-16,18-19,27,30H,5-8,11,14,17,20-26H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t27-/m1/s1 Rumen Lipids 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycero-3-phosphocholine +HMDB12107 SM(d18:1/24:1(15Z)) "Not Available" C47H93N2O6P 812.677124 813.225 813.6844004 811.6698476 C00550 "Not Available" InChI=1/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b21-20-,40-38+/t45-,46+/m0/s1 Rumen Lipids 2-[hydroxy-[(E,2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enoyl]amino]octadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium +HMDB12108 LysoPC(17:0) "Not Available" C25H52NO7P 509.348145 509.657 510.3554214 508.3408686 C04230 "Not Available" InChI=1/C25H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26(2,3)4/h24,27H,5-23H2,1-4H3/t24-/m1/s1 Rumen Lipids 1-margaroyl-glycero-3-phosphocholine +HMDB12275 Phenylethylamine 64-04-0 C8H11N 121.089149 121.180 122.0964254 120.0818726 C05332 PHENYLETHYLAMINE InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2 Rumen "Not Available" 2-phenylethanamine +HMDB12326 L-Gulose 6027-89-0 C6H12O6 180.063385 180.156 181.0706614 179.0561086 C15923 CPD4FS-6 InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6u/m0/s1 Rumen "Carbohydrates and Carbohydrate conjugates" (3S,4S,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol +HMDB13125 Hydroxypropionylcarnitine "Not Available" C10H19NO5 233.126328 233.262 234.1336044 232.1190516 "Not Available" "Not Available" InChI=1/C10H19NO5/c1-11(2,3)7-8(6-9(13)14)16-10(15)4-5-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13126 Butenylcarnitine "Not Available" C11H19NO4 229.131409 229.273 230.1386854 228.1241326 "Not Available" "Not Available" InChI=1/C11H19NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h5-6,9H,7-8H2,1-4H3/b6-5+/t9-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13127 Hydroxybutyrylcarnitine "Not Available" C11H21NO5 247.141968 247.288 248.1492444 246.1346916 "Not Available" "Not Available" InChI=1/C11H21NO5/c1-8(13)5-11(16)17-9(6-10(14)15)7-12(2,3)4/h8-9,13H,5-7H2,1-4H3/t8?,9-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13128 Valerylcarnitine "Not Available" C12H23NO4 245.162704 245.315 246.1699804 244.1554276 "Not Available" "Not Available" InChI=1/C12H23NO4/c1-5-6-7-12(16)17-10(8-11(14)15)9-13(2,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13129 Glutaconylcarnitine "Not Available" C12H19NO6 273.121246 273.282 274.1285224 272.1139696 "Not Available" "Not Available" InChI=1/C12H19NO6/c1-13(2,3)8-9(7-11(16)17)19-12(18)6-4-5-10(14)15/h4,6,9H,5,7-8H2,1-3H3,(H-,14,15,16,17)/b6-4+/t9-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13133 Methylglutarylcarnitine "Not Available" C11H19NO6 261.121246 261.272 262.1285224 260.1139696 "Not Available" "Not Available" InChI=1/C11H19NO6/c1-7(10(15)16)11(17)18-8(5-9(13)14)6-12(2,3)4/h7-8H,5-6H2,1-4H3,(H-,13,14,15,16)/t7?,8-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13161 2-Hexenoylcarnitine "Not Available" C13H23NO4 257.162720 257.326 258.1699964 256.1554436 "Not Available" "Not Available" InChI=1/C13H23NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3/b8-7+ Rumen "Not Available" "Not Available" +HMDB13328 Pimelylcarnitine "Not Available" C14H25NO6 303.168182 303.351 304.1754584 302.1609056 "Not Available" "Not Available" InChI=1/C14H25NO6/c1-15(2,3)11(9-10-13(18)19)21-14(20)8-6-4-5-7-12(16)17/h11H,4-10H2,1-3H3,(H-,16,17,18,19)/t11-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13334 9,12-Hexadecadienoylcarnitine "Not Available" C23H41NO4 395.303558 395.576 396.3108344 394.2962816 "Not Available" "Not Available" InChI=1/C23H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(24(2,3)4)19-20-22(25)26/h7-8,10-11,21H,5-6,9,12-20H2,1-4H3/b8-7-,11-10-/t21-/m0/s1 Rumen "Not Available" "Not Available" +HMDB13462 SM(d18:0/14:1(9Z)(OH)) "Not Available" C37H73N2O7P 688.515564 688.958 689.5228404 687.5082876 C00550 "Not Available" InChI=1/C37H73N2O7P/c1-6-8-10-12-14-16-17-18-19-21-23-25-27-29-36(41)35(33-46-47(43,44)45-31-30-39(3,4)5)38-37(42)32-34(40)28-26-24-22-20-15-13-11-9-7-2/h13,15,27,29,34-36,40-41H,6-12,14,16-26,28,30-33H2,1-5H3,(H-,38,42,43,44)/b15-13-,29-27+/t34?,35-,36+/m0/s1 Rumen Lipids "Not Available" +HMDB13463 SM(d18:0/16:1(9Z)(OH)) "Not Available" C39H77N2O7P 716.546814 717.012 717.5540904 715.5395376 C00550 "Not Available" InChI=1/C39H77N2O7P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(43)37(35-48-49(45,46)47-33-32-41(3,4)5)40-39(44)34-36(42)30-28-26-24-22-20-17-15-13-11-9-7-2/h17,20,29,31,36-38,42-43H,6-16,18-19,21-28,30,32-35H2,1-5H3,(H-,40,44,45,46)/b20-17-,31-29+/t36?,37-,38+/m0/s1 Rumen Lipids "Not Available" +HMDB13464 SM(d18:0/16:1(9Z)) "Not Available" C39H79N2O6P 702.567566 703.028 703.5748424 701.5602896 C00550 "Not Available" InChI=1/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,37-38,42H,6-16,18,20-36H2,1-5H3,(H-,40,43,44,45)/b19-17-/t37-,38+/m0/s1 Rumen Lipids "Not Available" +HMDB13465 SM(d18:0/20:2(11Z,14Z)) "Not Available" C43H83N2O6P 754.598877 755.103 755.6061534 753.5916006 C00550 "Not Available" InChI=1/C43H83N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,34,36,41-42,46H,6-13,15,17-19,22-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b16-14-,21-20-,36-34+/t41-,42+/m0/s1 Rumen Lipids "Not Available" +HMDB13466 SM(d18:0/22:1(13Z)(OH)) "Not Available" C45H89N2O7P 800.640747 801.171 801.6480234 799.6334706 C00550 "Not Available" InChI=1/C45H89N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-42(48)40-45(50)46-43(41-54-55(51,52)53-39-38-47(3,4)5)44(49)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h20-21,35,37,42-44,48-49H,6-19,22-34,36,38-41H2,1-5H3,(H-,46,50,51,52)/b21-20-,37-35+/t42?,43-,44+/m0/s1 Rumen Lipids "Not Available" +HMDB13467 SM(d18:0/22:2(13Z,16Z)(OH)) "Not Available" C45H87N2O7P 798.625061 799.155 799.6323374 797.6177846 C00550 "Not Available" InChI=1/C45H87N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-42(48)40-45(50)46-43(41-54-55(51,52)53-39-38-47(3,4)5)44(49)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16,20-21,35,37,42-44,48-49H,6-13,15,17-19,22-34,36,38-41H2,1-5H3,(H-,46,50,51,52)/b16-14-,21-20-,37-35+/t42?,43-,44+/m0/s1 Rumen Lipids "Not Available" +HMDB13468 SM(d18:0/22:3(10Z,13Z,16Z)) "Not Available" C45H85N2O6P 780.614502 781.140 781.6217784 779.6072256 C00550 "Not Available" InChI=1/C45H85N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,36,38,43-44,48H,6-13,15,17-19,22,25-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b16-14-,21-20-,24-23-,38-36+/t43-,44+/m0/s1 Rumen Lipids "Not Available" +HMDB13469 SM(d18:0/24:1(15Z)(OH)) "Not Available" C47H93N2O7P 828.672058 829.224 829.6793344 827.6647816 C00550 "Not Available" InChI=1/C47H93N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-44(50)42-47(52)48-45(43-56-57(53,54)55-41-40-49(3,4)5)46(51)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h20-21,37,39,44-46,50-51H,6-19,22-36,38,40-43H2,1-5H3,(H-,48,52,53,54)/b21-20-,39-37+/t44?,45-,46+/m0/s1 Rumen Lipids "Not Available"
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/out03.tabular Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,1234 @@ +HMDB_ID MzBank MetName ChemFormula INChIkey +HMDB0000001 169.085126611 1-Methylhistidine C7H11N3O2 BRMWTNUJHUMWMS-LURJTMIESA-N +HMDB0000005 102.031694058 "2-Ketobutyric acid" C4H6O3 TYEYBOSBBBHJIV-UHFFFAOYSA-N +HMDB0000008 104.047344122 "2-Hydroxybutyric acid" C4H8O3 AFENDNXGAFYKQO-UHFFFAOYSA-N +HMDB0000017 183.053157781 "4-Pyridoxic acid" C8H9NO4 HXACOUQIXZGNBF-UHFFFAOYSA-N +HMDB0000019 116.047344122 "alpha-Ketoisovaleric acid" C5H8O3 QHKABHOOEWYVLI-UHFFFAOYSA-N +HMDB0000020 152.047344122 "p-Hydroxyphenylacetic acid" C8H8O3 XQXPVVBIMDBYFF-UHFFFAOYSA-N +HMDB0000023 104.047344122 "(S)-3-Hydroxyisobutyric acid" C4H8O3 DBXBTMSZEOQQDU-VKHMYHEASA-N +HMDB0000030 244.088163078 Biotin C10H16N2O3S YBJHBAHKTGYVGT-ZKWXMUAHSA-N +HMDB0000033 226.106590334 Carnosine C9H14N4O3 CQOVPNPJLQNMDC-ZETCQYMHSA-N +HMDB0000034 135.054495185 Adenine C5H5N5 GFFGJBXGBJISGV-UHFFFAOYSA-N +HMDB0000037 360.193674006 Aldosterone C21H28O5 PQSUYGKTWSAVDQ-SRPWZAMTSA-N +HMDB0000038 239.101839307 Dihydrobiopterin C9H13N5O3 FEMXZDUTFRTWPE-UHFFFAOYSA-N +HMDB0000039 88.0524295 "Butyric acid" C4H8O2 FERIUCNNQQJTOY-UHFFFAOYSA-N +HMDB0000042 60.021129372 "Acetic acid" C2H4O2 QTBSBXVTEAMEQO-UHFFFAOYSA-N +HMDB0000043 117.078978601 Betaine C5H11NO2 KWIUHFFTVRNATP-UHFFFAOYSA-N +HMDB0000044 176.032087988 "Ascorbic acid" C6H8O6 CIWBSHSKHKDKBQ-JLAZNSOCSA-N +HMDB0000045 347.063084339 "Adenosine monophosphate" C10H14N5O7P UDMBCSSLTHHNCD-KQYNXXCUSA-N +HMDB0000050 267.096753929 Adenosine C10H13N5O4 OIRDTQYFTABQOQ-KQYNXXCUSA-N +HMDB0000056 89.047678473 beta-Alanine C3H7NO2 UCMIRNVEIXFBKS-UHFFFAOYSA-N +HMDB0000060 102.031694058 "Acetoacetic acid" C4H6O3 WDJHALXBUFZDSR-UHFFFAOYSA-N +HMDB0000062 161.105193351 L-Carnitine C7H15NO3 PHIQHXFUZVPYII-ZCFIWIBFSA-N +HMDB0000063 362.20932407 Cortisol C21H30O5 JYGXADMDTFJGBT-VWUMJDOOSA-N +HMDB0000064 131.069476547 Creatine C4H9N3O2 CVSVTCORWBXHQV-UHFFFAOYSA-N +HMDB0000067 386.354866094 Cholesterol C27H46O HVYWMOMLDIMFJA-DPAQBDIFSA-N +HMDB0000070 129.078978601 "Pipecolic acid" C6H11NO2 HXEACLLIILLPRG-UHFFFAOYSA-N +HMDB0000071 252.085854882 Deoxyinosine C10H12N4O4 VGONTNSXDCQUGY-RRKCRQDMSA-N +HMDB0000072 174.016437924 "cis-Aconitic acid" C6H6O6 GTZCVFVGUGFEME-IWQZZHSRSA-N +HMDB0000076 114.042927446 Dihydrouracil C4H6N2O2 OIVLITBTBDPEFK-UHFFFAOYSA-N +HMDB0000077 288.20893014 Dehydroepiandrosterone C19H28O2 FMGSKLZLMKYGDP-USOAJAOKSA-N +HMDB0000078 178.041212886 Cysteinylglycine C5H10N2O3S ZUKPVRWZDMRIEO-VKHMYHEASA-N +HMDB0000079 128.05857751 Dihydrothymine C5H8N2O2 NBAKTGXDIBVZOO-UHFFFAOYSA-N +HMDB0000085 267.096753929 Deoxyguanosine C10H13N5O4 YKBGVTZYEHREMT-KVQBGUIXSA-N +HMDB0000086 257.102823889 Glycerophosphocholine C8H20NO6P SUHOQUVVVLNYQR-QMMMGPOBSA-N +HMDB0000087 45.057849229 Dimethylamine C2H7N ROSDSFDQCJNGOL-UHFFFAOYSA-N +HMDB0000089 243.085520541 Cytidine C9H13N3O5 UHDGCWIWMRVCDJ-XVFCMESISA-N +HMDB0000092 103.063328537 Dimethylglycine C4H9NO2 FFDGPVCHZBVARC-UHFFFAOYSA-N +HMDB0000094 192.02700261 "Citric acid" C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N +HMDB0000095 323.051850951 "Cytidine monophosphate" C9H14N3O8P IERHLVCPSMICTF-XVFCMESISA-N +HMDB0000097 104.107539075 Choline C5H14NO OEYIOHPDSNJKLS-UHFFFAOYSA-N +HMDB0000098 150.05282343 D-Xylose C5H10O5 SRBFZHDQGSBBOR-IOVATXLUSA-N +HMDB0000107 182.07903818 Galactitol C6H14O6 FBPFZTCFMRRESA-GUCUJZIJSA-N +HMDB0000108 46.041864814 Ethanol C2H6O LFQSCWFLJHTTHZ-UHFFFAOYSA-N +HMDB0000112 103.063328537 "gamma-Aminobutyric acid" C4H9NO2 BTCSSZJGUNDROE-UHFFFAOYSA-N +HMDB0000115 76.016043994 "Glycolic acid" C2H4O3 AEMRFAOFKBGASW-UHFFFAOYSA-N +HMDB0000118 182.057908808 "Homovanillic acid" C9H10O4 QRMZSPFSDQBLIX-UHFFFAOYSA-N +HMDB0000122 180.063388116 D-Glucose C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N +HMDB0000123 75.032028409 Glycine C2H5NO2 DHMQDGOQFOQNFH-UHFFFAOYSA-N +HMDB0000124 260.029718526 "Fructose 6-phosphate" C6H13O9P GSXOAOHZAIYLCY-HSUXUTPPSA-N +HMDB0000125 307.083805981 Glutathione C10H17N3O6S RWSXRVCMGQZWBV-WDSKDSINSA-N +HMDB0000126 172.013674532 "Glycerol 3-phosphate" C3H9O6P AWUCVROLDVIAJX-GSVOUGTGSA-N +HMDB0000131 92.047344122 Glycerol C3H8O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N +HMDB0000132 151.049409807 Guanine C5H5N5O UYTPUPDQBNUYGX-UHFFFAOYSA-N +HMDB0000133 283.091668551 Guanosine C10H13N5O5 NYHBQMYGNKIUIF-UUOKFMHZSA-N +HMDB0000134 116.010958616 "Fumaric acid" C4H4O4 VZCYOOQTPOCHFL-OWOJBTEDSA-N +HMDB0000139 106.02660868 "Glyceric acid" C3H6O4 RBNPOMFGQQGHHO-UWTATZPHSA-N +HMDB0000142 46.005479308 "Formic acid" CH2O2 BDAGIHXWWSANSR-UHFFFAOYSA-N +HMDB0000143 180.063388116 D-Galactose C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N +HMDB0000148 147.053157781 "L-Glutamic acid" C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N +HMDB0000149 61.052763851 Ethanolamine C2H7NO HZAXFHJVJLSVMW-UHFFFAOYSA-N +HMDB0000151 272.177630012 Estradiol C18H24O2 VOXZDWNPVJITMN-ZBRFXRBCSA-N +HMDB0000156 134.021523302 "L-Malic acid" C4H6O5 BJEPYKJPYRNKOW-REOHCLBHSA-N +HMDB0000157 136.03851077 Hypoxanthine C5H4N4O FDGQSTZJBFJUBT-UHFFFAOYSA-N +HMDB0000158 181.073893223 L-Tyrosine C9H11NO3 OUYCCCASQSFEME-QMMMGPOBSA-N +HMDB0000159 165.078978601 L-Phenylalanine C9H11NO2 COLNVLDHVKWLRT-QMMMGPOBSA-N +HMDB0000161 89.047678473 L-Alanine C3H7NO2 QNAYBMKLOCPYGJ-REOHCLBHSA-N +HMDB0000162 115.063328537 L-Proline C5H9NO2 ONIBWKKTOPOVIA-BYPYZUCNSA-N +HMDB0000164 31.042199165 Methylamine CH5N BAVYZALUXZFZLV-UHFFFAOYSA-N +HMDB0000167 119.058243159 L-Threonine C4H9NO3 AYFVYJQAPQTCCC-GBXIJSLDSA-N +HMDB0000168 132.053492132 L-Asparagine C4H8N2O3 DCXYFEDJOCDNAF-REOHCLBHSA-N +HMDB0000169 180.063388116 D-Mannose C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N +HMDB0000172 131.094628665 L-Isoleucine C6H13NO2 AGPKZVBTJJNPAG-WHFBIAKZSA-N +HMDB0000174 164.068473494 L-Fucose C6H12O5 SHZGCJCMOBCMKK-DHVFOXMCSA-N +HMDB0000177 155.069476547 L-Histidine C6H9N3O2 HNDVDQJCIGZPNO-YFKPBYRVSA-N +HMDB0000182 146.105527702 L-Lysine C6H14N2O2 KDXKERNSBIXSRK-YFKPBYRVSA-N +HMDB0000187 105.042593095 L-Serine C3H7NO3 MTCFGRXMJLQNBG-REOHCLBHSA-N +HMDB0000190 90.031694058 "L-Lactic acid" C3H6O3 JVTAAEKCZFNVCJ-REOHCLBHSA-N +HMDB0000191 133.037507717 "L-Aspartic acid" C4H7NO4 CKLJMWTZIZZHCS-REOHCLBHSA-N +HMDB0000193 192.02700261 "Isocitric acid" C6H8O7 ODBLHEXUDAPZAU-UHFFFAOYSA-N +HMDB0000194 240.122240398 Anserine C10H16N4O3 MYYIAHXIVFADCU-QMMMGPOBSA-N +HMDB0000195 268.080769514 Inosine C10H12N4O5 UGQMRVRMYYASKQ-KQYNXXCUSA-N +HMDB0000197 175.063328537 "Indoleacetic acid" C10H9NO2 SEOVTRFCIGRIMH-UHFFFAOYSA-N +HMDB0000201 203.115758031 L-Acetylcarnitine C9H17NO4 RDHQFKQIGNGIED-MRVPVSSYSA-N +HMDB0000206 188.116092388 N6-Acetyl-L-lysine C8H16N2O3 DTERQYGMUDWYAZ-ZETCQYMHSA-N +HMDB0000207 282.255880332 "Oleic acid" C18H34O2 ZQPPMHVWECSIRJ-KTKRTIGZSA-N +HMDB0000208 146.021523302 "Oxoglutaric acid" C5H6O5 KPGXRSRHYNQIFN-UHFFFAOYSA-N +HMDB0000209 136.0524295 "Phenylacetic acid" C8H8O2 WLJVXDMOQOGPHL-UHFFFAOYSA-N +HMDB0000210 219.110672659 "Pantothenic acid" C9H17NO5 GHOKWGTUZJEAQD-ZETCQYMHSA-N +HMDB0000211 180.063388116 myo-Inositol C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N +HMDB0000212 221.089937217 N-Acetylgalactosamine C8H15NO6 OVRNDRQMDRJTHS-CBQIKETKSA-N +HMDB0000213 260.029718526 "Myo-inositol 1-phosphate" C6H13O9P INAPMGSXUVUWAF-PTQMNWPWSA-N +HMDB0000214 132.089877638 Ornithine C5H12N2O2 AHLPHDHHMVZTML-BYPYZUCNSA-N +HMDB0000215 221.089937217 N-Acetyl-D-glucosamine C8H15NO6 OVRNDRQMDRJTHS-RTRLPJTCSA-N +HMDB0000220 256.240230268 "Palmitic acid" C16H32O2 IPCSVZSSVZVIGE-UHFFFAOYSA-N +HMDB0000222 399.334858933 L-Palmitoylcarnitine C23H45NO4 XOMRRQXKHMYMOC-OAQYLSRUSA-N +HMDB0000224 141.019094261 O-Phosphoethanolamine C2H8NO4P SUHOOTKUPISOBE-UHFFFAOYSA-N +HMDB0000226 156.017106626 "Orotic acid" C5H4N2O4 PXQPEWDEAKTCGB-UHFFFAOYSA-N +HMDB0000228 94.041864814 Phenol C6H6O ISWSIDIOOBJBQZ-UHFFFAOYSA-N +HMDB0000230 309.105981211 "N-Acetylneuraminic acid" C11H19NO9 SQVRNKJHWKZAKO-PFQGKNLYSA-N +HMDB0000234 288.20893014 Testosterone C19H28O2 MUMGGOZAMZWBJJ-DYKIIFRCSA-N +HMDB0000235 265.112306876 Thiamine C12H17N4OS JZRWCGZRTZMZEH-UHFFFAOYSA-N +HMDB0000237 74.036779436 "Propionic acid" C3H6O2 XBDQKXXYIPTUBI-UHFFFAOYSA-N +HMDB0000243 88.016043994 "Pyruvic acid" C3H4O3 LCTONWCANYUPML-UHFFFAOYSA-N +HMDB0000244 376.138284392 Riboflavin C17H20N4O6 AUNGANRZJHBGPY-SCRDCRAPSA-N +HMDB0000247 182.07903818 Sorbitol C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N +HMDB0000248 776.686681525 Thyroxine C15H11I4NO4 XUIIKFGFIJCVMT-LBPRGKRZSA-N +HMDB0000250 177.943225506 Pyrophosphate H4O7P2 XPPKVPWEQAFLFU-UHFFFAOYSA-N +HMDB0000251 125.014663785 Taurine C2H7NO3S XOAAWQZATWQOTB-UHFFFAOYSA-N +HMDB0000254 118.02660868 "Succinic acid" C4H6O4 KDYFGRWQOYBRFD-UHFFFAOYSA-N +HMDB0000258 342.116211546 Sucrose C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N +HMDB0000262 126.042927446 Thymine C5H6N2O2 RWQNBRDOKXIBIV-UHFFFAOYSA-N +HMDB0000263 167.982374404 "Phosphoenolpyruvic acid" C3H5O6P DTBNBXWJWCWCIK-UHFFFAOYSA-N +HMDB0000265 650.790038137 Liothyronine C15H12I3NO4 AUYYCJSJGJYCDS-LBPRGKRZSA-N +HMDB0000267 129.042593095 "Pyroglutamic acid" C5H7NO3 ODHCTXKNWHHXJC-VKHMYHEASA-N +HMDB0000271 89.047678473 Sarcosine C3H7NO2 FSYKKLYZXJSNPZ-UHFFFAOYSA-N +HMDB0000273 242.090271568 Thymidine C10H14N2O5 IQFYYKKMVGJFEH-XLPZGREQSA-N +HMDB0000283 150.05282343 D-Ribose C5H10O5 HMFHBZSHGGEWLO-SOOFDHNKSA-N +HMDB0000285 483.968527356 "Uridine triphosphate" C9H15N2O15P3 PGAVKCOVUIYSFO-XVFCMESISA-N +HMDB0000288 324.035866536 "Uridine 5'-monophosphate" C9H13N2O9P DJJCXFVJDGTHFX-XVFCMESISA-N +HMDB0000289 168.028340014 "Uric acid" C5H4N4O3 LEHOTFFKMJEONL-UHFFFAOYSA-N +HMDB0000290 607.081569477 "Uridine diphosphate-N-acetylglucosamine" C17H27N3O17P2 LFTYTUAZOPRMMI-CFRASDGPSA-N +HMDB0000291 198.05282343 "Vanillylmandelic acid" C9H10O5 CGQCWMIAEPEHNQ-QMMMGPOBSA-N +HMDB0000292 152.033425392 Xanthine C5H4N4O2 LRFVTYWOQMYALW-UHFFFAOYSA-N +HMDB0000294 60.03236276 Urea CH4N2O XSQUKJJJFZCRTK-UHFFFAOYSA-N +HMDB0000300 112.027277382 Uracil C4H4N2O2 ISAKRJDGNUQOIC-UHFFFAOYSA-N +HMDB0000301 138.042927446 "Urocanic acid" C6H6N2O2 LOIYMIARKYCTBW-OWOJBTEDSA-N +HMDB0000305 286.229665582 "Vitamin A" C20H30O FPIPGXGPPPQFEQ-OVSJKPMPSA-N +HMDB0000308 374.282095082 "3b-Hydroxy-5-cholenoic acid" C24H38O3 HIAJCGFYHIANNA-QIZZZRFXSA-N +HMDB0000317 132.07864425 "2-Hydroxy-3-methylpentanoic acid" C6H12O3 RILPIWOPNGRASR-RFZPGFLSSA-N +HMDB0000355 162.05282343 "3-Hydroxymethylglutaric acid" C6H10O5 NPOAOTPXWNWTSH-UHFFFAOYSA-N +HMDB0000357 104.047344122 "3-Hydroxybutyric acid" C4H8O3 WHBMMWSBFZVSSR-UHFFFAOYSA-N +HMDB0000374 330.219494826 17-Hydroxyprogesterone C21H30O3 DBPWSSGDRRHUNT-CEGNMAFCSA-N +HMDB0000402 176.068473494 "2-Isopropylmalic acid" C7H12O5 BITYXLXUCSKTJS-ZETCQYMHSA-N +HMDB0000407 118.062994186 "2-Hydroxy-3-methylbutyric acid" C5H10O3 NGEWQZIDQIYUNV-UHFFFAOYSA-N +HMDB0000426 148.037173366 "Citramalic acid" C5H8O5 XFTRTWQBIOMVPK-UHFFFAOYSA-N +HMDB0000440 152.047344122 "3-Hydroxyphenylacetic acid" C8H8O3 FVMDYYGIDFPZAX-UHFFFAOYSA-N +HMDB0000448 146.057908808 "Adipic acid" C6H10O4 WNLRTRBMVRJNCN-UHFFFAOYSA-N +HMDB0000462 158.043990078 Allantoin C4H6N4O3 POJWUDADGALRAB-UHFFFAOYSA-N +HMDB0000464 39.962591155 Calcium Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N +HMDB0000466 131.073499293 3-Methylindole C9H9N ZFRKQXVRDFCRJG-UHFFFAOYSA-N +HMDB0000474 72.057514878 Butanone C4H8O ZWEHNKRNPOVVGH-UHFFFAOYSA-N +HMDB0000479 169.085126611 3-Methylhistidine C7H11N3O2 JDHILDINMRGULE-LURJTMIESA-N +HMDB0000482 144.115029756 "Caprylic acid" C8H16O2 WWZKQHOCKIZLMA-UHFFFAOYSA-N +HMDB0000484 168.042258738 "Vanillic acid" C8H8O4 WKOLLVMJNQIZCI-UHFFFAOYSA-N +HMDB0000491 130.062994186 "3-Methyl-2-oxovaleric acid" C6H10O3 JVQYSWDUAOAHFM-UHFFFAOYSA-N +HMDB0000492 34.968852707 "Chloride ion" Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M +HMDB0000500 138.031694053 "4-Hydroxybenzoic acid" C7H6O3 FJKROLUGYXJWQN-UHFFFAOYSA-N +HMDB0000510 161.068807845 "Aminoadipic acid" C6H11NO4 OYIFNHCXNCRBQI-UHFFFAOYSA-N +HMDB0000511 172.146329884 "Capric acid" C10H20O2 GHVNFZFCNZKVNT-UHFFFAOYSA-N +HMDB0000512 207.089543287 N-Acetyl-L-phenylalanine C11H13NO3 CBQJSKKFNMDLON-JTQLQIEISA-N +HMDB0000516 180.063388116 Beta-D-Glucose C6H12O6 WQZGKKKJIJFFOK-VFUOTHLCSA-N +HMDB0000517 174.111675712 L-Arginine C6H14N4O2 ODKSFYDXXFIFQN-BYPYZUCNSA-N +HMDB0000532 117.042593095 Acetylglycine C4H7NO3 OKJIRPAQVSHGFK-UHFFFAOYSA-N +HMDB0000535 116.083729628 "Caproic acid" C6H12O2 FUZZWVXGSFPDMH-UHFFFAOYSA-N +HMDB0000538 506.995745159 "Adenosine triphosphate" C10H16N5O13P3 ZKHQWZAMYRWXGA-KQYNXXCUSA-N +HMDB0000539 166.047738052 "Arabinonic acid" C5H10O6 QXKAIJAYHKCRRA-JJYYJPOSSA-N +HMDB0000547 23.985041898 Magnesium Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N +HMDB0000552 289.152537473 3-Methylglutarylcarnitine C13H23NO6 HFCPFJNSBPQJDP-UHFFFAOYSA-N +HMDB0000562 113.058911861 Creatinine C4H7N3O DDRJAANPRJIHGJ-UHFFFAOYSA-N +HMDB0000564 733.562155053 PC(16:0/16:0) C40H80NO8P KILNVBDSWZSGLL-KXQOOQHDSA-N +HMDB0000574 121.019749163 L-Cysteine C3H7NO2S XUJNEKJLAYXESH-REOHCLBHSA-N +HMDB0000586 38.963706861 Potassium K NPYPAHLBTDXSSS-UHFFFAOYSA-N +HMDB0000588 22.989769675 Sodium Na FKNQFGJONOIPTF-UHFFFAOYSA-N +HMDB0000593 785.593455181 "PC(18:1(9Z)/18:1(9Z)) " C44H84NO8P SNKAWJBJQDLSFF-YEUCEMRASA-N +HMDB0000599 51.940511904 Chromium Cr BFGKITSFLPAWGI-UHFFFAOYSA-N +HMDB0000606 148.037173366 "D-2-Hydroxyglutaric acid" C5H8O5 HWXBTNAVRSUOJR-GSVOUGTGSA-N +HMDB0000608 58.933200194 Cobalt Co XLJKHNWPARRRJB-UHFFFAOYSA-N +HMDB0000613 136.037173366 "Erythronic acid" C4H8O5 JPIJQSOTBSSVTP-PWNYCUMCSA-N +HMDB0000618 230.01915384 "D-Ribulose 5-phosphate" C5H11O8P FNZLKVNUWIIPSJ-UHNVWZDZSA-N +HMDB0000625 196.058302738 "Gluconic acid" C6H12O7 RGHNJXZEOKUKBD-SQOUGZDYSA-N +HMDB0000638 200.177630012 "Dodecanoic acid" C12H24O2 POULHZVOKOAJMA-UHFFFAOYSA-N +HMDB0000639 210.037567296 "Galactaric acid" C6H10O8 DSLZVSRJTYRBFB-DUHBMQHGSA-N +HMDB0000641 146.069142196 L-Glutamine C5H10N2O3 ZDXPYRJPNDTMRX-VKHMYHEASA-N +HMDB0000650 103.063328537 "D-alpha-Aminobutyric acid" C4H9NO2 QWCKQJZIFLGMSD-GSVOUGTGSA-N +HMDB0000656 426.08790508 "Cysteineglutathione disulfide" C13H22N4O8S2 BNRXZEPOHPEEAS-PPSBICQBSA-N +HMDB0000657 62.929601079 Copper Cu JPVYNHNXODAKFH-UHFFFAOYSA-N +HMDB0000660 180.063388116 D-Fructose C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N +HMDB0000661 132.042258744 "Glutaric acid" C5H8O4 JFCQEDHGNNZCLN-UHFFFAOYSA-N +HMDB0000662 18.998403205 Fluoride F KRHYYFGTRYWZRS-UHFFFAOYSA-M +HMDB0000666 130.099379692 "Heptanoic acid" C7H14O2 MNWFXJYAOYHMED-UHFFFAOYSA-N +HMDB0000673 280.240230268 "Linoleic acid" C18H32O2 OYHQOLUKZRVURQ-HZJYTTRNSA-N +HMDB0000687 131.094628665 L-Leucine C6H13NO2 ROHFNLRQFUQHCH-YFKPBYRVSA-N +HMDB0000688 245.162708229 Isovalerylcarnitine C12H23NO4 IGQBPDJNUXPEMT-UHFFFAOYSA-N +HMDB0000689 116.083729628 "Isocaproic acid" C6H12O2 FGKJLKRYENPLQH-UHFFFAOYSA-N +HMDB0000691 104.010958616 "Malonic acid" C3H4O4 OFOBLEOULBTSOW-UHFFFAOYSA-N +HMDB0000692 55.934942133 Fe2+ Fe CWYNVVGOOAEACU-UHFFFAOYSA-N +HMDB0000694 148.037173366 "L-2-Hydroxyglutaric acid" C5H8O5 HWXBTNAVRSUOJR-VKHMYHEASA-N +HMDB0000695 130.062994186 Ketoleucine C6H10O3 BKAJNAXTPSGJCU-UHFFFAOYSA-N +HMDB0000696 149.051049291 L-Methionine C5H11NO2S FFEARJCKVFRZRR-BYPYZUCNSA-N +HMDB0000710 104.047344122 "4-Hydroxybutyric acid" C4H8O3 SJZRECIVHVDYJC-UHFFFAOYSA-N +HMDB0000711 160.109944378 "Hydroxyoctanoic acid" C8H16O3 JKRDADVRIYVCCY-UHFFFAOYSA-N +HMDB0000714 179.058243159 "Hippuric acid" C9H9NO3 QIAFMBKCNZACKA-UHFFFAOYSA-N +HMDB0000718 102.068079564 "Isovaleric acid" C5H10O2 GWYFCOCPABKNJV-UHFFFAOYSA-N +HMDB0000720 116.047344122 "Levulinic acid" C5H8O3 JOOXCMJARBKPKM-UHFFFAOYSA-N +HMDB0000721 172.08479226 Glycylproline C7H12N2O3 KZNQNBZMBZJQJO-UHFFFAOYSA-N +HMDB0000725 131.058243159 4-Hydroxyproline C5H9NO3 PMMYEEVYMWASQN-DMTCNVIQSA-N +HMDB0000729 104.047344122 "Alpha-Hydroxyisobutyric acid" C4H8O3 BWLBGMIXKSTLSX-UHFFFAOYSA-N +HMDB0000738 117.057849229 Indole C8H7N SIKJAQJRHWYJAI-UHFFFAOYSA-N +HMDB0000742 135.035399227 Homocysteine C4H9NO2S FFFHZYDWPBMWHY-UHFFFAOYSA-N +HMDB0000744 134.021523302 "Malic acid" C4H6O5 BJEPYKJPYRNKOW-UHFFFAOYSA-N +HMDB0000746 132.07864425 "Hydroxyisocaproic acid" C6H12O3 LVRFTAZAXQPQHI-YFKPBYRVSA-N +HMDB0000748 166.062994186 "L-3-Phenyllactic acid" C9H10O3 VOXXWSYKYCBWHO-MRVPVSSYSA-N +HMDB0000755 182.057908808 "Hydroxyphenyllactic acid" C9H10O4 JVGVDSSUAVXRDY-UHFFFAOYSA-N +HMDB0000759 188.116092388 Glycylleucine C8H16N2O3 DKEXFJVMVGETOO-LURJTMIESA-N +HMDB0000764 150.068079564 "Hydrocinnamic acid" C9H10O2 XMIIGOLPHOKFCH-UHFFFAOYSA-N +HMDB0000765 182.07903818 Mannitol C6H14O6 FBPFZTCFMRRESA-KVTDHHQDSA-N +HMDB0000779 166.062994186 "Phenyllactic acid" C9H10O3 VOXXWSYKYCBWHO-UHFFFAOYSA-N +HMDB0000784 188.104859 "Azelaic acid" C9H16O4 BDJRBEYXGGNYIS-UHFFFAOYSA-N +HMDB0000803 221.089937217 beta-N-Acetylglucosamine C8H15NO6 OVRNDRQMDRJTHS-FMDGEEDCSA-N +HMDB0000805 129.042593095 "Pyrrolidonecarboxylic acid" C5H7NO3 ODHCTXKNWHHXJC-UHFFFAOYSA-N +HMDB0000806 228.20893014 "Myristic acid" C14H28O2 TUNFSRHWOTWDNC-UHFFFAOYSA-N +HMDB0000807 185.99293909 "3-Phosphoglyceric acid" C3H7O7P OSJPPGNTCRNQQC-UHFFFAOYSA-N +HMDB0000812 175.048072403 "N-Acetyl-L-aspartic acid" C6H9NO5 OTCCIMWXFLJLIA-BYPYZUCNSA-N +HMDB0000820 60.057514878 "Propyl alcohol" C3H8O BDERNNFJNOPAEC-UHFFFAOYSA-N +HMDB0000821 193.073893223 Phenylacetylglycine C10H11NO3 UTYVDVLMYQPLQB-UHFFFAOYSA-N +HMDB0000824 217.131408101 Propionylcarnitine C10H19NO4 UFAHZIUFPNSHSL-UHFFFAOYSA-N +HMDB0000826 242.224580204 "Pentadecanoic acid" C15H30O2 WQEPLUUGTLDZJY-UHFFFAOYSA-N +HMDB0000827 284.271530396 "Stearic acid" C18H36O2 QIQXTHQIDYTFRH-UHFFFAOYSA-N +HMDB0000828 176.043321376 "Ureidosuccinic acid" C5H8N2O5 HLKXYZVTANABHZ-REOHCLBHSA-N +HMDB0000847 158.13067982 "Pelargonic acid" C9H18O2 FBUKVWPVBMHYJY-UHFFFAOYSA-N +HMDB0000863 60.057514878 "Isopropyl alcohol" C3H8O KFZMGEQAYNKOFK-UHFFFAOYSA-N +HMDB0000870 111.079647303 Histamine C5H9N3 NTYJJOPFIAHURM-UHFFFAOYSA-N +HMDB0000876 384.33921603 "Vitamin D3" C27H44O QYSXJUFSXHHAJI-YRZJJWOYSA-N +HMDB0000883 117.078978601 L-Valine C5H11NO2 KZSNJWFQEVHDMF-BYPYZUCNSA-N +HMDB0000888 216.136159128 "Undecanedioic acid" C11H20O4 LWBHHRRTOZQPDM-UHFFFAOYSA-N +HMDB0000892 102.068079564 "Valeric acid" C5H10O2 NQPDZGIKBAWPEJ-UHFFFAOYSA-N +HMDB0000895 146.118103761 "Acetylcholine " C7H16NO2 OIPILFWXSMYKGL-UHFFFAOYSA-N +HMDB0000898 125.095297367 1-Methylhistamine C6H11N3 FHQDWPCFSJMNCT-UHFFFAOYSA-N +HMDB0000900 396.33921603 Ergocalciferol C28H44O MECHNRXZTMCUDQ-RKHKHRCZSA-N +HMDB0000904 175.095691297 Citrulline C6H13N3O3 RHGKLRLOHDJJDR-BYPYZUCNSA-N +HMDB0000906 59.073499293 Trimethylamine C3H9N GETQZCLCWQTVFV-UHFFFAOYSA-N +HMDB0000910 214.193280076 "Tridecanoic acid" C13H26O2 SZHOJFHSIKHZHA-UHFFFAOYSA-N +HMDB0000925 75.068413915 "Trimethylamine N-oxide" C3H9NO UYPYRKYUKCHHIB-UHFFFAOYSA-N +HMDB0000929 204.089877638 L-Tryptophan C11H12N2O2 QIVBCDIJIAJPQS-VIFPVBQESA-N +HMDB0000930 148.0524295 "trans-Cinnamic acid" C9H8O2 WBYWAXJHAXSJNI-VOTSOKGWSA-N +HMDB0000943 136.037173366 "Threonic acid" C4H8O5 JPIJQSOTBSSVTP-GBXIJSLDSA-N +HMDB0000957 110.036779436 Pyrocatechol C6H6O2 YCIMNLLNPGFGHC-UHFFFAOYSA-N +HMDB0000962 205.059505487 Lipoamide C8H15NOS2 FCCDDURTIIUXBY-UHFFFAOYSA-N +HMDB0000965 109.019749163 Hypotaurine C2H7NO2S VVIUBCNYACGLLV-UHFFFAOYSA-N +HMDB0000990 44.02621475 Acetaldehyde C2H4O IKHGUXGNUITLKF-UHFFFAOYSA-N +HMDB0001043 304.240230268 "Arachidonic acid" C20H32O2 YZXBAPSDXZZRGB-DOFZRALJSA-N +HMDB0001046 176.094963016 Cotinine C10H12N2O UIKROCXWUNQSPJ-UHFFFAOYSA-N +HMDB0001062 301.056267627 "N-Acetyl-D-Glucosamine 6-Phosphate" C8H16NO9P BRGMHAYQAZFZDJ-RTRLPJTCSA-N +HMDB0001068 290.040283212 "D-Sedoheptulose 7-phosphate" C7H15O10P CBIDVWSRUUODHL-QTSLKERKSA-N +HMDB0001096 140.982708755 "Carbamoyl phosphate" CH4NO5P FFQKYPRQEYGKAF-UHFFFAOYSA-N +HMDB0001122 59.037113787 N-Methylformamide C2H5NO ATHHXGZTWNVVOU-UHFFFAOYSA-N +HMDB0001138 189.063722467 "N-Acetylglutamic acid" C7H11NO5 RFMMMVDNIPUKGG-UHFFFAOYSA-N +HMDB0001140 128.120115134 Octanal C8H16O NUJGJRNETVAIRJ-UHFFFAOYSA-N +HMDB0001161 146.118103761 "4-Trimethylammoniobutanoic acid" C7H16NO2 JHPNVNIEXXLNTR-UHFFFAOYSA-O +HMDB0001184 84.057514878 "Methyl propenyl ketone" C5H8O LABTWGUMFABVFG-ONEGZZNKSA-N +HMDB0001190 159.068413915 Indoleacetaldehyde C10H9NO WHOOUMGHGSPMGR-UHFFFAOYSA-N +HMDB0001218 146.036779433 Coumarin C9H6O2 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N +HMDB0001247 26.981538441 Aluminum Al XAGFODPZIPBFFR-UHFFFAOYSA-N +HMDB0001256 202.215746852 Spermine C10H26N4 PFNFFQXMRSDOHW-UHFFFAOYSA-N +HMDB0001257 145.157897623 Spermidine C7H19N3 ATHGHQPFGPMSJY-UHFFFAOYSA-N +HMDB0001302 97.905407846 Molybdenum Mo MMVYPOCJESWGTC-UHFFFAOYSA-N +HMDB0001315 30.973761512 Phosphorus P OAICVXFJPJFONN-UHFFFAOYSA-N +HMDB0001316 276.024633148 "6-Phosphogluconic acid" C6H13O10P BIRSGZKFKXLSJQ-SQOUGZDYSA-N +HMDB0001327 84.911789341 Rubidium Rb NCCSSGKUIKYAJD-UHFFFAOYSA-N +HMDB0001333 54.938049636 Manganese Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N +HMDB0001341 427.029414749 ADP C10H15N5O10P2 XTWYTFMLZFPYCI-KQYNXXCUSA-N +HMDB0001348 731.606699942 SM(d18:1/18:0) C41H84N2O6P LKQLRGMMMAHREN-YJFXYUILSA-O +HMDB0001349 79.916521828 Selenium Se MFSBVGSNNPNWMD-UHFFFAOYSA-N +HMDB0001366 120.043596148 Purine C5H4N4 KDCGOANMDULRCW-UHFFFAOYSA-N +HMDB0001367 301.056267627 "N-Acetyl-glucosamine 1-phosphate" C8H16NO9P FZLJPEPAYPUMMR-RTRLPJTCSA-N +HMDB0001369 129.042593095 "Pyrroline hydroxycarboxylic acid" C5H7NO3 WFOFKRKDDKGRIK-UHFFFAOYSA-N +HMDB0001388 278.224580204 "Alpha-Linolenic acid" C18H30O2 DTOSIQBPPRVQHS-PDBXOOCHSA-N +HMDB0001389 232.121177766 Melatonin C13H16N2O2 DRLFMBDRBRZALE-UHFFFAOYSA-N +HMDB0001390 192.089877638 Hydroxycotinine C10H12N2O2 XOKCJXZZNAUIQN-IENPIDJESA-N +HMDB0001397 363.057998961 "Guanosine monophosphate" C10H14N5O8P RQFCJASXJCIDSX-UUOKFMHZSA-N +HMDB0001401 260.029718526 "Glucose 6-phosphate" C6H13O9P NBSCHQHZLSJFNQ-GASJEMHNSA-N +HMDB0001414 88.100048394 Putrescine C4H12N2 KIDHWZJUCRJVML-UHFFFAOYSA-N +HMDB0001429 97.976895096 Phosphate H3O4P NBIIXXVUZAFLBC-UHFFFAOYSA-N +HMDB0001432 130.121846468 Agmatine C5H14N4 QYPPJABKJHAVHS-UHFFFAOYSA-N +HMDB0001448 97.967379242 Sulfate H2O4S QAOWNCQODCNURD-UHFFFAOYSA-N +HMDB0001453 57.975144695 Thiocyanate CNS ZMZDMBWJUHKJPS-UHFFFAOYSA-M +HMDB0001473 169.998024468 "Dihydroxyacetone phosphate" C3H7O6P GNGACRATGGDKBX-UHFFFAOYSA-N +HMDB0001475 89.904703679 Zirconium Zr GBNDTYKAOXLLID-UHFFFAOYSA-N +HMDB0001478 71.949056008 Gallium GaH3 PHMDYZQXPPOZDG-UHFFFAOYSA-N +HMDB0001485 114.140850576 Octane C8H18 TVMXDCGIABBOFY-UHFFFAOYSA-N +HMDB0001488 123.032028409 "Nicotinic acid" C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N +HMDB0001505 78.046950192 Benzene C6H6 UHOVQNZJYSORNB-UHFFFAOYSA-N +HMDB0001514 179.079372531 Glucosamine C6H13NO5 MSWZFWKMSRAUBD-IVMDWMLBSA-N +HMDB0001517 338.062749988 AICAR C9H15N4O8P NOTGFIUVDGNKRI-UUOKFMHZSA-N +HMDB0001522 73.063997239 Methylguanidine C2H7N3 CHJJGSNFBQVOTG-UHFFFAOYSA-N +HMDB0001548 230.01915384 "D-Ribose 5-phosphate" C5H11O8P KTVPXOYAKDPRHY-SOOFDHNKSA-N +HMDB0001565 184.073869485 Phosphorylcholine C5H15NO4P YHHSONZFOIEMCP-UHFFFAOYSA-O +HMDB0001586 260.029718526 "Glucose 1-phosphate" C6H13O9P HXXFSFRBOHSIMQ-GASJEMHNSA-N +HMDB0001659 58.041864814 Acetone C3H6O CSCPPACGZOOCGX-UHFFFAOYSA-N +HMDB0001844 132.042258744 "Methylsuccinic acid" C5H8O4 WXUAQHNMJWJLTG-UHFFFAOYSA-N +HMDB0001847 194.080375584 Caffeine C8H10N4O2 RYYVLZVUVIJVGH-UHFFFAOYSA-N +HMDB0001851 152.068473494 L-Arabitol C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N +HMDB0001854 129.906222753 Tellurium Te LHBANKJAFPUZQV-UHFFFAOYSA-N +HMDB0001858 108.057514878 p-Cresol C7H8O IWDCLRJOBJJRNH-UHFFFAOYSA-N +HMDB0001859 151.063328537 Acetaminophen C8H9NO2 RZVAJINKPMORJF-UHFFFAOYSA-N +HMDB0001860 180.06472552 Paraxanthine C7H8N4O2 QUNWUDVFRNGTCO-UHFFFAOYSA-N +HMDB0001864 130.062994186 "2-Ketohexanoic acid" C6H10O3 XNIHZNNZJHYHLC-UHFFFAOYSA-N +HMDB0001870 122.036779433 "Benzoic acid" C7H6O2 WPYMKLBDIGXBTP-UHFFFAOYSA-N +HMDB0001873 88.0524295 "Isobutyric acid" C4H8O2 KQNPFQTWMSNSAP-UHFFFAOYSA-N +HMDB0001875 32.02621475 Methanol CH4O OKKJLVBELUTLKV-UHFFFAOYSA-N +HMDB0001878 150.104465071 Thymol C10H14O MGSRCZKZVOBKFT-UHFFFAOYSA-N +HMDB0001881 76.0524295 "Propylene glycol" C3H8O2 DNIAPMSPPWPWGF-UHFFFAOYSA-N +HMDB0001888 73.052763851 N,N-Dimethylformamide C3H7NO ZMXDDKWLCZADIW-UHFFFAOYSA-N +HMDB0001893 430.381080844 alpha-Tocopherol C29H50O2 GVJHHUAWPYXKBD-IEOSBIPESA-N +HMDB0001894 294.121571696 Aspartame C14H18N2O5 IAOZJIPTCAWIRG-QWRGUYRKSA-N +HMDB0001895 138.031694053 "Salicylic acid" C7H6O3 YGSDEFSMJLZEOE-UHFFFAOYSA-N +HMDB0001934 162.115698458 Nicotine C10H14N2 SNICXCGAKADSCV-JTQLQIEISA-N +HMDB0001960 123.933496699 Tin H4Sn PXQLTWWGPFDWNT-UHFFFAOYSA-N +HMDB0001966 47.947947053 Titanium Ti LCKIEQZJEYYRIY-UHFFFAOYSA-N +HMDB0001989 183.950932553 Tungsten W YFGRPIXHCIXTLM-UHFFFAOYSA-N +HMDB0002000 226.193280076 "Myristoleic acid" C14H26O2 YWWVWXASSLXJHU-WAYWQWQTSA-N +HMDB0002005 165.045963913 "Methionine sulfoxide" C5H11NO3S QEFRNWWLZKMPFJ-UHFFFAOYSA-N +HMDB0002013 231.14705816 Butyrylcarnitine C11H21NO4 QWYFHHGCZUCMBN-SECBINFHSA-N +HMDB0002030 179.079372531 Fructosamine C6H13NO5 IXZISFNWUWKBOM-ARQDHWQXSA-N +HMDB0002048 108.057514878 m-Cresol C7H8O RLSSMJSEOOYNOY-UHFFFAOYSA-N +HMDB0002056 222.089208936 "Monoisobutyl phthalic acid" C12H14O4 RZJSUWQGFCHNFS-UHFFFAOYSA-N +HMDB0002064 130.11061308 N-Acetylputrescine C6H14N2O KLZGKIDSEJWEDW-UHFFFAOYSA-N +HMDB0002072 166.062994186 "4-Methoxyphenylacetic acid" C9H10O3 NRPFNQUDKRYCNX-UHFFFAOYSA-N +HMDB0002085 198.052823422 "Syringic acid" C9H10O5 JMSVCTWVEWCHDZ-UHFFFAOYSA-N +HMDB0002107 166.02660868 "Phthalic acid" C8H6O4 XNGIFLGASWRNHJ-UHFFFAOYSA-N +HMDB0002111 18.010564686 Water H2O XLYOFNOQVPJJNP-UHFFFAOYSA-N +HMDB0002120 194.057908808 "Monoethyl phthalate" C10H10O4 YWWHKOHZGJFMIE-UHFFFAOYSA-N +HMDB0002130 180.042258744 "Monomethyl phthalate" C9H8O4 FNJSWIPFHMKRAT-UHFFFAOYSA-N +HMDB0002176 102.068079564 "Ethylmethylacetic acid" C5H10O2 WLAMNBDJUVNPJU-UHFFFAOYSA-N +HMDB0002189 187.168462309 N8-Acetylspermidine C9H21N3O FONIWJIDLJEJTL-UHFFFAOYSA-N +HMDB0002199 166.062994186 Desaminotyrosine C9H10O3 NMHMNPHRMNGLLB-UHFFFAOYSA-N +HMDB0002231 310.28718046 "11Z-Eicosenoic acid" C20H38O2 BITHHVVYSMSWAG-KTKRTIGZSA-N +HMDB0002243 123.032028409 "Picolinic acid" C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N +HMDB0002259 270.255880332 "Heptadecanoic acid" C17H34O2 KEMQGTRYUADPNZ-UHFFFAOYSA-N +HMDB0002290 74.921596417 Arsenic As LULLIKNODDLMDQ-UHFFFAOYSA-N +HMDB0002302 189.078978601 "Indole-3-propionic acid" C11H11NO2 GOLXRNDWAUTYKT-UHFFFAOYSA-N +HMDB0002322 102.115698458 Cadaverine C5H14N2 VHRGRCVQAFMJIZ-UHFFFAOYSA-N +HMDB0002329 89.995308552 "Oxalic acid" C2H2O4 MUBZPKHOEPUJKR-UHFFFAOYSA-N +HMDB0002340 136.0524295 "2-Methylbenzoic acid" C8H8O2 ZWLPBLYKEWSWPD-UHFFFAOYSA-N +HMDB0002350 270.292265838 Octadecanol C18H38O GLDOVTGHNKAZLK-UHFFFAOYSA-N +HMDB0002386 11.009305466 Boron B FRWDHMWMHYXNLW-UHFFFAOYSA-N +HMDB0002428 166.02660868 "Terephthalic acid" C8H6O4 KKEYFWRCBNTPAC-UHFFFAOYSA-N +HMDB0002457 57.935347922 Nickel Ni VEQPNABPJHWNSG-UHFFFAOYSA-N +HMDB0002501 73.921178213 Germanium Ge CULSIAXQVSZNSV-UHFFFAOYSA-N +HMDB0002503 50.943963675 Vanadium V KOKKJWHERHSKEB-UHFFFAOYSA-N +HMDB0002712 164.068473494 1,5-Anhydrosorbitol C6H12O5 MPCAJMNYNOGXPB-SLPGGIOYSA-N +HMDB0002786 47.000728281 Nitrite HNO2 IOVCWXUNBOPUCH-UHFFFAOYSA-N +HMDB0002820 140.05857751 "Methylimidazoleacetic acid" C6H8N2O2 ZHCKPJGJQOPTLB-UHFFFAOYSA-N +HMDB0002825 180.06472552 Theobromine C7H8N4O2 YAPQBXQYLJRXSA-UHFFFAOYSA-N +HMDB0002917 152.068473494 D-Xylitol C5H12O5 HEBKCHPVOIAQTA-NGQZWQHPSA-N +HMDB0002923 342.116211546 Isomaltose C12H22O11 DLRVVLDZNNYCBX-RTPHMHGBSA-N +HMDB0002931 147.053157781 N-Acetylserine C5H9NO4 JJIHLJJYMXLCOY-BYPYZUCNSA-N +HMDB0002939 100.088815006 "Methyl isobutyl ketone" C6H12O NTIZESTWPVYFNL-UHFFFAOYSA-N +HMDB0002994 122.057908808 Erythritol C4H10O4 UNXHWFMMPAWVPI-ZXZARUISSA-N +HMDB0003072 192.063388116 "Quinic acid" C7H12O6 AAWZDTNXLSGCEK-RKGSPJAZSA-N +HMDB0003119 108.057514878 "Benzyl alcohol" C7H8O WVDDGKGOMKODPV-UHFFFAOYSA-N +HMDB0003178 616.177297665 Heme C34H32FeN4O4 KABFMIBPWCXCRK-RGGAHWMASA-L +HMDB0003229 254.224580204 "Palmitoleic acid" C16H30O2 SECPZKHBENQXJG-FPLPWBNLSA-N +HMDB0003231 282.255880335 "Vaccenic acid" C18H34O2 UWHZIFQPPBDJPM-BQYQJAHWSA-N +HMDB0003243 88.0524295 Acetoin C4H8O2 ROWKJAVDOGWPAT-UHFFFAOYSA-N +HMDB0003334 202.14297584 "Symmetric dimethylarginine" C8H18N4O2 HVPFXCBJHIIJGS-LURJTMIESA-N +HMDB0003337 612.151961898 "Oxidized glutathione" C20H32N6O12S2 YPZRWBKMTBYPTK-UHFFFAOYSA-N +HMDB0003339 147.053157781 "D-Glutamic acid" C5H9NO4 WHUUTDBJXJRKMK-GSVOUGTGSA-N +HMDB0003345 180.063388116 Alpha-D-Glucose C6H12O6 WQZGKKKJIJFFOK-DVKNGEFBSA-N +HMDB0003352 156.151415264 Menthol C10H20O NOOLISFMXDJSKH-KXUCPTDWSA-N +HMDB0003355 117.078978601 "5-Aminopentanoic acid" C5H11NO2 JJMDCOVWQOJGCB-UHFFFAOYSA-N +HMDB0003357 174.100442324 N-Acetylornithine C7H14N2O3 JRLGPAXAGHMNOL-LURJTMIESA-N +HMDB0003361 80.037448138 Pyrimidine C4H4N2 CZPWVGJYEJSRLH-UHFFFAOYSA-N +HMDB0003366 58.041864814 Propanal C3H6O NBBJYMSMWIIQGU-UHFFFAOYSA-N +HMDB0003374 132.089877638 D-Ornithine C5H12N2O2 AHLPHDHHMVZTML-SCSAIBSYSA-N +HMDB0003406 105.042593095 D-Serine C3H7NO3 MTCFGRXMJLQNBG-UWTATZPHSA-N +HMDB0003407 86.036779436 Diacetyl C4H6O2 QSJXEFYPDANLFS-UHFFFAOYSA-N +HMDB0003417 121.019749643 D-Cysteine C3H7NO2S XUJNEKJLAYXESH-UWTATZPHSA-N +HMDB0003418 180.063388116 D-Tagatose C6H12O6 BJHIKXHVCXFQLS-PQLUHFTBSA-N +HMDB0003423 146.069142196 D-Glutamine C5H10N2O3 ZDXPYRJPNDTMRX-GSVOUGTGSA-N +HMDB0003459 160.08479226 D-Alanyl-D-alanine C6H12N2O3 DEFJQIDDEAULHB-QWWZWVQMSA-N +HMDB0003466 178.047738052 L-Gulonolactone C6H10O6 SXZYCXMUPBBULW-SKNVOMKLSA-N +HMDB0003538 62.00039393 "Carbonic acid" CH2O3 BVKZGUZCCUSVTD-UHFFFAOYSA-N +HMDB0003540 347.063084339 3'-AMP C10H14N5O7P LNQVTSROQXJCDD-KQYNXXCUSA-N +HMDB0003638 113.903358121 Cadmium Cd WLZRMCYVCSSEQC-UHFFFAOYSA-N +HMDB0003642 87.905614339 Strontium Sr PWYYWQHXAPXYMF-UHFFFAOYSA-N +HMDB0003647 150.104465071 "Perillyl aldehyde" C10H14O RUMOYJJNUMEFDD-UHFFFAOYSA-N +HMDB0003671 114.10446507 2-Heptanone C7H14O CATSNJVOTSVZJV-UHFFFAOYSA-N +HMDB0004096 205.073893223 5-Methoxyindoleacetate C11H11NO3 COCNDHOPIHDTHK-UHFFFAOYSA-N +HMDB0004142 137.905241273 Barium Ba XDFCIPNJCBUZJN-UHFFFAOYSA-N +HMDB0004231 205.131408101 Pantothenol C9H19NO4 SNPLKNRPJHDVJA-UHFFFAOYSA-N +HMDB0004321 136.125200512 (+)-Limonene C10H16 XMGQYMWWDOXHJM-JTQLQIEISA-N +HMDB0004327 74.073164942 1-Butanol C4H10O LRHPLDYGYMQRHN-UHFFFAOYSA-N +HMDB0004461 121.052763851 Benzamide C7H7NO KXDAEFPNCMNJSK-UHFFFAOYSA-N +HMDB0004472 154.1357652 Eucalyptol C10H18O WEEGYLXZBRQIMU-UHFFFAOYSA-N +HMDB0004628 207.97663585 Lead Pb RVPVRDXYQKGNMQ-UHFFFAOYSA-N +HMDB0004814 114.10446507 4-Heptanone C7H14O HCFAJYNVAYBARA-UHFFFAOYSA-N +HMDB0004827 143.094628665 "Proline betaine" C7H13NO2 CMUNUTVVOOHQPW-LURJTMIESA-N +HMDB0004983 94.008850126 "Dimethyl sulfone" C2H6O2S HHVIBTZHLRERCL-UHFFFAOYSA-N +HMDB0005066 371.303558805 Tetradecanoylcarnitine C21H41NO4 PSHXNVGSVNEJBD-LJQANCHMSA-N +HMDB0005802 164.083729628 Isoeugenol C10H12O2 BJIOGJUNALELMI-ONEGZZNKSA-N +HMDB0005805 134.109550451 p-Cymene C10H14 HFPZCAJZSCWRBC-UHFFFAOYSA-N +HMDB0005806 136.125200515 Gamma-terpinene C10H16 YKFLAYDHMOASIY-UHFFFAOYSA-N +HMDB0005809 164.083729628 Eugenol C10H12O2 RRAFCDWBNXTKKO-UHFFFAOYSA-N +HMDB0005812 154.1357652 Geraniol C10H18O GLZPCOQZEFWAFX-YFHOEESVSA-N +HMDB0005843 99.014269855 "Allyl isothiocyanate" C4H5NS ZOJBYZNEUISWFT-UHFFFAOYSA-N +HMDB0005879 93.991091572 Dimethyldisulfide C2H6S2 WQOXQRCZOLPYPM-UHFFFAOYSA-N +HMDB0005949 7.016004049 Lithium Li HBBGRARXTFLTSG-UHFFFAOYSA-N +HMDB0005994 100.088815006 Hexanal C6H12O JARKCYVAAOWBJS-UHFFFAOYSA-N +HMDB0006006 74.073164942 Isobutanol C4H10O ZXEKIIBDNHEJCQ-UHFFFAOYSA-N +HMDB0006007 88.088815006 Isopentanol C5H12O PHTQWCKDNZKARW-UHFFFAOYSA-N +HMDB0006088 180.063388116 scyllo-Inositol C6H12O6 CDAISMWEOUEBRE-CDRYSYESSA-N +HMDB0006111 320.23514489 12-HETE C20H32O3 ZNHVWPKMFKADKW-FYMOKONMSA-N +HMDB0006115 106.041864814 Benzaldehyde C7H6O HUMNYLRZRPPJDN-UHFFFAOYSA-N +HMDB0006213 76.0524295 (S)-Propane-1,2-diol C3H8O2 DNIAPMSPPWPWGF-VKHMYHEASA-N +HMDB0006272 131.058243159 "5-Amino-2-oxopentanoic acid" C5H9NO3 BWHGMFYTDQEALD-UHFFFAOYSA-N +HMDB0006478 86.073164942 Iso-Valeraldehyde C5H10O YGHRJJRRZDOVPD-UHFFFAOYSA-N +HMDB0007871 733.562155053 PC(14:0/18:0) C40H80NO8P TYAQXZHDAGZOEO-KXQOOQHDSA-N +HMDB0007879 759.577805117 PC(14:0/20:1(11Z)) C42H82NO8P DMEBDXIQFIKNQR-OIJJMQLXSA-N +HMDB0007880 757.562155053 PC(14:0/20:2(11Z,14Z)) C42H80NO8P IRYMXEVDAKMFIF-YBLKGUNISA-N +HMDB0007881 755.546504989 PC(14:0/20:3(5Z,8Z,11Z)) C42H78NO8P XWHIBISICRMDDW-ZLBNXBDKSA-N +HMDB0007882 755.546504989 PC(14:0/20:3(8Z,11Z,14Z)) C42H78NO8P ZAUFLMLTXNKVAB-AFYHZPHLSA-N +HMDB0007887 787.609105245 PC(14:0/22:1(13Z)) C44H86NO8P LOVKBDFNFACEND-HSEDGGQWSA-N +HMDB0007888 785.593455181 PC(14:0/22:2(13Z,16Z)) C44H84NO8P BRAPXNOAYHMWEX-JHHJWKSXSA-N +HMDB0007889 781.562155053 PC(14:0/22:4(7Z,10Z,13Z,16Z)) C44H80NO8P UDOCLKXJVMJFLD-CCHOKCMJSA-N +HMDB0007890 779.546504989 PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)) C44H78NO8P MGUTYWPZCZBAGE-JZDIRDTQSA-N +HMDB0007891 779.546504989 PC(14:0/22:5(7Z,10Z,13Z,16Z,19Z)) C44H78NO8P SFEMWZZGMMRGCX-DYPKKMQZSA-N +HMDB0007896 717.567240431 PC(14:0/P-18:0) C40H80NO7P RGTWJEUZOMLQFH-JCUPVDEDSA-N +HMDB0007911 759.577805117 PC(14:1(9Z)/20:0) C42H82NO8P SJLGFZBXPQKJIH-LLVYEJTBSA-N +HMDB0007912 757.562155053 PC(14:1(9Z)/20:1(11Z)) C42H80NO8P OLUKQTJCNPHKRC-LYJZGNKWSA-N +HMDB0007913 755.546504989 PC(14:1(9Z)/20:2(11Z,14Z)) C42H78NO8P KBHCBANQRIOXLD-FRPVHTQQSA-N +HMDB0007919 787.609105245 PC(14:1(9Z)/22:0) C44H86NO8P OSTGKIDWKPXCRQ-FASREOMLSA-N +HMDB0007920 785.593455181 PC(14:1(9Z)/22:1(13Z)) C44H84NO8P CGXBWJDAGMQUFG-MHJIJCEHSA-N +HMDB0007921 783.577805117 PC(14:1(9Z)/22:2(13Z,16Z)) C44H82NO8P LMYYUVAVNWPEPG-GXAHKNHCSA-N +HMDB0007922 779.546504989 PC(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C44H78NO8P XBLSNYPBWMKQLW-WPNBCRARSA-N +HMDB0007971 759.577805117 PC(16:0/18:1(11Z)) C42H82NO8P AEPVLLKGEBHLEJ-KWNHIAGJSA-N +HMDB0007972 759.577805117 PC(16:0/18:1(9Z)) C42H82NO8P WTJKGGKOPKCXLL-VYOBOKEXSA-N +HMDB0007973 757.562155053 PC(16:0/18:2(9Z,12Z)) C42H80NO8P JLPULHDHAOZNQI-ZTIMHPMXSA-N +HMDB0007974 755.546504989 PC(16:0/18:3(6Z,9Z,12Z)) C42H78NO8P CNNSEHUKQJCGTE-UPPWDXJYSA-N +HMDB0007975 755.546504989 PC(16:0/18:3(9Z,12Z,15Z)) C42H78NO8P JMAYDGBZRHQJAT-QWFQJEORSA-N +HMDB0007978 787.609105245 PC(16:0/20:1(11Z)) C44H86NO8P MZZHKIPFYPOYKP-NYJULOOZSA-N +HMDB0007979 785.593455181 PC(16:0/20:2(11Z,14Z)) C44H84NO8P ZRTZULWIAWDUBY-UXSLIEDSSA-N +HMDB0007980 783.577805117 PC(16:0/20:3(5Z,8Z,11Z)) C44H82NO8P XMZFUVYOYPLVOA-VLHUWQDUSA-N +HMDB0007981 783.577805117 PC(16:0/20:3(8Z,11Z,14Z)) C44H82NO8P SRIGHEHXEGELQJ-YYQUKWHJSA-N +HMDB0007982 781.562155053 PC(16:0/20:4(5Z,8Z,11Z,14Z)) C44H80NO8P IIZPXYDJLKNOIY-JXPKJXOSSA-N +HMDB0007983 781.562155053 PC(16:0/20:4(8Z,11Z,14Z,17Z)) C44H80NO8P JAVWFBAAZSHHAD-HCYAGMRRSA-N +HMDB0007984 779.546504989 PC(16:0/20:5(5Z,8Z,11Z,14Z,17Z)) C44H78NO8P KLTHQSWIRFFBRI-CPFPVJFHSA-N +HMDB0007988 809.593455181 PC(16:0/22:4(7Z,10Z,13Z,16Z)) C46H84NO8P IRWRFKUTKSUFST-MDYGELLQSA-N +HMDB0007989 807.577805117 PC(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C46H82NO8P MWXAIAMSOXOQJK-JIXVGTEKSA-N +HMDB0007990 807.577805117 PC(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C46H82NO8P ARDJUHDXABDVFH-ZHSIBHBUSA-N +HMDB0007991 805.562155053 PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H80NO8P IESVDEZGAHUQJU-ZLBXKVHBSA-N +HMDB0007994 717.567240431 PC(16:0/P-16:0) C40H80NO7P KEVGQWGZKKFGDC-JCUPVDEDSA-N +HMDB0007996 743.582890495 PC(16:0/P-18:1(11Z)) C42H82NO7P MPQGNHKVOVYEEN-RTVLTNFHSA-N +HMDB0007997 743.582890495 PC(16:0/P-18:1(9Z)) C42H82NO7P UQCSRPHVLJIYTA-ADJITVTDSA-N +HMDB0008003 759.577805117 PC(16:1(9Z)/18:0) C42H82NO8P LJUDFFWSOQEQKW-QCFYSATCSA-N +HMDB0008004 757.562155053 PC(16:1(9Z)/18:1(11Z)) C42H80NO8P JUVGBPLHSDPAMK-JSLHZOBYSA-N +HMDB0008005 757.562155053 PC(16:1(9Z)/18:1(9Z)) C42H80NO8P ZRCWDIULNHKQRD-RWGOWQMXSA-N +HMDB0008006 755.546504989 PC(16:1(9Z)/18:2(9Z,12Z)) C42H78NO8P QJWDAOSZZYVBJZ-KXESGEQTSA-N +HMDB0008010 787.609105245 PC(16:1(9Z)/20:0) C44H86NO8P YFGYYMPGHQJKLU-HTDYWKJCSA-N +HMDB0008011 785.593455181 PC(16:1(9Z)/20:1(11Z)) C44H84NO8P RPEHVLWFOYUNMD-NPCYKUJHSA-N +HMDB0008012 783.577805117 PC(16:1(9Z)/20:2(11Z,14Z)) C44H82NO8P IIGHFIDXVYEMME-ZAEMQJNLSA-N +HMDB0008013 781.562155053 PC(16:1(9Z)/20:3(5Z,8Z,11Z)) C44H80NO8P SKHRULFMZYNDLW-IRKGUOCTSA-N +HMDB0008014 781.562155053 PC(16:1(9Z)/20:3(8Z,11Z,14Z)) C44H80NO8P SCFKGVINVZBYAF-MLQXCARSSA-N +HMDB0008015 779.546504989 PC(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C44H78NO8P DYDDZDMJSQYFGN-OIVUZXIWSA-N +HMDB0008016 779.546504989 PC(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C44H78NO8P NJKOHDXHBBUJBZ-HVRDEFPWSA-N +HMDB0008020 811.609105245 PC(16:1(9Z)/22:2(13Z,16Z)) C46H86NO8P IHEXWEKEFCKFEL-UTIGHQPQSA-N +HMDB0008021 807.577805117 PC(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C46H82NO8P XJISBSFDFOVVHI-QIOBQPIHSA-N +HMDB0008022 805.562155053 PC(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C46H80NO8P WCODZEYPAWOVBI-UMQSOSPQSA-N +HMDB0008024 805.562155053 PC(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C46H80NO8P WNHOGFDQJFYPDE-GBGUCBAQSA-N +HMDB0008028 743.582890495 PC(16:1(9Z)/P-18:0) C42H82NO7P IHJLXDUOYHJZQE-IOGJYWBCSA-N +HMDB0008029 741.567240431 PC(16:1(9Z)/P-18:1(11Z)) C42H80NO7P ZFACUKICYTXONE-IWDZABBFSA-N +HMDB0008030 741.567240431 PC(16:1(9Z)/P-18:1(9Z)) C42H80NO7P UMCQOQMEDBTSBS-YJTQHARMSA-N +HMDB0008031 733.562155053 PC(18:0/14:0) C40H80NO8P MZWGYEJOZNRLQE-KXQOOQHDSA-N +HMDB0008035 759.577805117 PC(18:0/16:1(9Z)) C42H82NO8P QRSPNOMDLRZDPG-QCFYSATCSA-N +HMDB0008037 787.609105245 PC(18:0/18:1(11Z)) C44H86NO8P AEAMHDRXCYEOCU-HTDYWKJCSA-N +HMDB0008038 787.609105245 PC(18:0/18:1(9Z)) C44H86NO8P ATHVAWFAEPLPPQ-VRDBWYNSSA-N +HMDB0008039 785.593455181 PC(18:0/18:2(9Z,12Z)) C44H84NO8P FORFDCPQKJHEBF-VPUSDGANSA-N +HMDB0008040 783.577805117 PC(18:0/18:3(6Z,9Z,12Z)) C44H82NO8P KJVJKBRMUDGTKA-NZXQIXPOSA-N +HMDB0008041 783.577805117 PC(18:0/18:3(9Z,12Z,15Z)) C44H82NO8P WZCLAXMADUBPSG-RIXBAXMTSA-N +HMDB0008042 781.562155053 PC(18:0/18:4(6Z,9Z,12Z,15Z)) C44H80NO8P MGIFJPVLDQAGPZ-ROBDCESFSA-N +HMDB0008046 811.609105245 PC(18:0/20:3(5Z,8Z,11Z)) C46H86NO8P QXDDDGCNWRUEFM-UMKMFDOBSA-N +HMDB0008047 811.609105245 PC(18:0/20:3(8Z,11Z,14Z)) C46H86NO8P VGSUMLIRUGDCTF-NSMRCOLJSA-N +HMDB0008048 809.593455181 PC(18:0/20:4(5Z,8Z,11Z,14Z)) C46H84NO8P PSVRFUPOQYJOOZ-QNPWAGBNSA-N +HMDB0008049 809.593455181 PC(18:0/20:4(8Z,11Z,14Z,17Z)) C46H84NO8P HAKKEJDMTIQLJH-UGKDIXSWSA-N +HMDB0008050 807.577805117 PC(18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C46H82NO8P ZMNDHWFRGYCJKG-UQIQIHEKSA-N +HMDB0008059 871.703005629 PC(18:0/24:1(15Z)) C50H98NO8P PAHPUCKPYBHMBM-RURDTVAGSA-N +HMDB0008062 771.614190623 PC(18:0/P-18:1(11Z)) C44H86NO7P JREOXIRIVLLXMO-MWNCGOSWSA-N +HMDB0008063 771.614190623 PC(18:0/P-18:1(9Z)) C44H86NO7P WKBKYWULQUMFDH-DJRFHFPXSA-N +HMDB0008067 759.577805117 PC(18:1(11Z)/16:0) C42H82NO8P WPAONTMCEBPEAF-KWNHIAGJSA-N +HMDB0008068 757.562155053 PC(18:1(11Z)/16:1(9Z)) C42H80NO8P FDBAKEKHEMZAPT-JSLHZOBYSA-N +HMDB0008069 787.609105245 PC(18:1(11Z)/18:0) C44H86NO8P VSQJLPDEJFLZDH-ASXRIEHBSA-N +HMDB0008070 785.593455181 PC(18:1(11Z)/18:1(11Z)) C44H84NO8P XUCDYRWWRZBNCQ-BHOZFUPKSA-N +HMDB0008071 785.593455181 PC(18:1(11Z)/18:1(9Z)) C44H84NO8P FOECFSINPHCSNE-IYXNDCFRSA-N +HMDB0008072 783.577805117 PC(18:1(11Z)/18:2(9Z,12Z)) C44H82NO8P YBNAKFLXDDROCX-YGRWKTHCSA-N +HMDB0008073 781.562155053 PC(18:1(11Z)/18:3(6Z,9Z,12Z)) C44H80NO8P MRRFMOUCAPXWJC-SSCJOAGESA-N +HMDB0008074 781.562155053 PC(18:1(11Z)/18:3(9Z,12Z,15Z)) C44H80NO8P DPEYXLDDNACOGV-ANVMUZGGSA-N +HMDB0008075 779.546504989 PC(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C44H78NO8P QAMLWHXIPWZMCT-WXVJBZSZSA-N +HMDB0008078 811.609105245 PC(18:1(11Z)/20:2(11Z,14Z)) C46H86NO8P MLMXSUWPTPCRLG-HYYWERRFSA-N +HMDB0008079 809.593455181 PC(18:1(11Z)/20:3(5Z,8Z,11Z)) C46H84NO8P GUKWLDDRYZDHHJ-QQZUSIKJSA-N +HMDB0008080 809.593455181 PC(18:1(11Z)/20:3(8Z,11Z,14Z)) C46H84NO8P ILTMNYOFBVFSJD-NIUYMHGESA-N +HMDB0008081 807.577805117 PC(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C46H82NO8P BHFJAGXKWFRMSK-ZUSAGPHLSA-N +HMDB0008082 807.577805117 PC(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C46H82NO8P JZIYIXOCSAGFBB-OYQODMOWSA-N +HMDB0008083 805.562155053 PC(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C46H80NO8P BLXFIBZJVTVAKI-BLPZMAMRSA-N +HMDB0008091 871.703005629 PC(18:1(11Z)/24:0) C50H98NO8P FPXADVQYVJYLOJ-IOVWWOAPSA-N +HMDB0008092 869.687355565 PC(18:1(11Z)/24:1(15Z)) C50H96NO8P PRNSLAVQZUIWHD-PRTODFFFSA-N +HMDB0008093 743.582890495 PC(18:1(11Z)/P-16:0) C42H82NO7P QZDZCTPKRWPFFS-RTVLTNFHSA-N +HMDB0008094 771.614190623 PC(18:1(11Z)/P-18:0) C44H86NO7P FDNRZRXSENYWER-JTLDGTJHSA-N +HMDB0008095 769.598540559 PC(18:1(11Z)/P-18:1(11Z)) C44H84NO7P STUDWKIRLPDNHV-RIWLRQSZSA-N +HMDB0008096 769.598540559 PC(18:1(11Z)/P-18:1(9Z)) C44H84NO7P JAVZDEIBGKQDCN-VRKRHMBPSA-N +HMDB0008100 759.577805117 PC(18:1(9Z)/16:0) C42H82NO8P RRVPPYNAZJRZFR-VYOBOKEXSA-N +HMDB0008101 757.562155053 PC(18:1(9Z)/16:1(9Z)) C42H80NO8P QJZAWHQVXYMEQR-RWGOWQMXSA-N +HMDB0008102 787.609105245 PC(18:1(9Z)/18:0) C44H86NO8P 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C50H96NO8P NHCQXAIWNWQNKC-PRTODFFFSA-N +HMDB0008795 869.687355565 PC(24:1(15Z)/18:1(9Z)) C50H96NO8P RYDOABFPJPYSFY-JXSZFMCPSA-N +HMDB0008797 865.656055437 PC(24:1(15Z)/18:3(6Z,9Z,12Z)) C50H92NO8P GBIZLQLECZADGM-UDTGXXMFSA-N +HMDB0008798 865.656055437 PC(24:1(15Z)/18:3(9Z,12Z,15Z)) C50H92NO8P OENQWPYNVSKSGJ-XRNMTXJFSA-N +HMDB0008818 855.708091007 PC(24:1(15Z)/P-18:0) C50H98NO7P PGPURMZKEVWAFO-VMNSASLRSA-N +HMDB0008819 853.692440943 PC(24:1(15Z)/P-18:1(11Z)) C50H96NO7P XUCRMKOOPPYQFN-JFKFTMGCSA-N +HMDB0008820 853.692440943 PC(24:1(15Z)/P-18:1(9Z)) C50H96NO7P ZLQCRABYIDJNLT-AZPQEANBSA-N +HMDB0010169 703.575399814 SM(d18:1/16:0) C39H80N2O6P RWKUXQNLWDTSLO-GWQJGLRPSA-O +HMDB0010223 296.23514489 9-HODE C18H32O3 NPDSHTNEKLQQIJ-SIGMCMEVSA-N +HMDB0010379 467.301189343 LysoPC(14:0/0:0) C22H46NO7P VXUOFDJKYGDUJI-OAQYLSRUSA-N +HMDB0010384 523.363789599 LysoPC(18:0) C26H54NO7P IHNKQIMGVNPMTC-RUZDIDTESA-N +HMDB0010395 543.332489471 LysoPC(20:4(5Z,8Z,11Z,14Z)) C28H50NO7P LAXQYRRMGGEGOH-JXRLJXCWSA-N +HMDB0010396 543.332489471 LysoPC(20:4(8Z,11Z,14Z,17Z)) C28H50NO7P GOMVPVRDBLLHQC-VEJNOCSESA-N +HMDB0011151 743.582890495 PC(O-16:0/18:2(9Z,12Z)) C42H82NO7P IQACMFWAGALEAQ-WESJWMGVSA-N +HMDB0011206 717.567240431 PC(P-16:0/16:0) C40H80NO7P PEWXKAOBUSBJLD-MCBGMKGZSA-N +HMDB0011209 743.582890495 PC(P-16:0/18:1(11Z)) C42H82NO7P MVDFTRYOOPZXII-JEPFLRBFSA-N +HMDB0011210 743.582890495 PC(P-16:0/18:1(9Z)) C42H82NO7P CRBBMHQTIAELIS-KQBBALDBSA-N +HMDB0011211 741.567240431 PC(P-16:0/18:2(9Z,12Z)) C42H80NO7P QLEHHUPUHJPURI-PWYDUFMYSA-N +HMDB0011212 739.551590367 PC(P-16:0/18:3(6Z,9Z,12Z)) C42H78NO7P MNOGOEJZCHBAEJ-LGHFGPIWSA-N +HMDB0011213 739.551590367 PC(P-16:0/18:3(9Z,12Z,15Z)) C42H78NO7P WXQJKOUXCWEMOK-LUPMRSKMSA-N +HMDB0011214 737.535940303 PC(P-16:0/18:4(6Z,9Z,12Z,15Z)) C42H76NO7P DFANIYFZNIJQEP-FAVOOIQCSA-N +HMDB0011216 771.614190623 PC(P-16:0/20:1(11Z)) C44H86NO7P WXILBCFZIXHZIG-KOUVQCMKSA-N +HMDB0011217 769.598540559 PC(P-16:0/20:2(11Z,14Z)) C44H84NO7P DORCYMODRHDYER-VTLIZAISSA-N +HMDB0011218 767.582890495 PC(P-16:0/20:3(5Z,8Z,11Z)) C44H82NO7P XWYIIYJIVUGRQE-YDGSBDHOSA-N +HMDB0011219 767.582890495 PC(P-16:0/20:3(8Z,11Z,14Z)) C44H82NO7P SWWXTMWKIUVGCD-NXTBAPBJSA-N +HMDB0011221 765.567240431 PC(P-16:0/20:4(8Z,11Z,14Z,17Z)) C44H80NO7P FYYVVICAMXUASI-YEHIGFSXSA-N +HMDB0011226 793.598540559 PC(P-16:0/22:4(7Z,10Z,13Z,16Z)) C46H84NO7P DQZNSYOOQMCBDC-PZVMGWTJSA-N +HMDB0011227 791.582890495 PC(P-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C46H82NO7P FAKYQMLQEAQOLK-LHZZQLRFSA-N +HMDB0011229 789.567240431 PC(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H80NO7P QICWUUGBNFIZAZ-VEOGPPBOSA-N +HMDB0011232 701.572326298 PC(P-16:0/P-16:0) C40H80NO6P VKQPPRFFLYKMPX-JIRBQVQQSA-N +HMDB0011234 727.587976362 PC(P-16:0/P-18:1(11Z)) C42H82NO6P OKKXTXQOJMLVPP-JLFFLFAUSA-N +HMDB0011235 727.587976362 PC(P-16:0/P-18:1(9Z)) C42H82NO6P XNZRITUHRJESOL-BCZCSWKFSA-N +HMDB0011236 717.567240431 PC(P-18:0/14:0) C40H80NO7P DUKGKTNZVUHGNM-MCBGMKGZSA-N +HMDB0011240 743.582890495 PC(P-18:0/16:1(9Z)) C42H82NO7P KMNVIRCHUMQGHD-RCINKDPXSA-N +HMDB0011242 771.614190623 PC(P-18:0/18:1(11Z)) C44H86NO7P JDTHSYITWRQVSV-CESBNGMCSA-N +HMDB0011243 771.614190623 PC(P-18:0/18:1(9Z)) C44H86NO7P DSWOVBIRJNAJAF-NVJOKYTBSA-N +HMDB0011244 769.598540559 PC(P-18:0/18:2(9Z,12Z)) C44H84NO7P PWPOLLAYFXIWOQ-PXSMKGAESA-N +HMDB0011245 767.582890495 PC(P-18:0/18:3(6Z,9Z,12Z)) C44H82NO7P QQZAQKGMSREYHF-KDEBBMLKSA-N +HMDB0011246 767.582890495 PC(P-18:0/18:3(9Z,12Z,15Z)) C44H82NO7P PYVYDRMXPDZRIS-FINMKEMFSA-N +HMDB0011247 765.567240431 PC(P-18:0/18:4(6Z,9Z,12Z,15Z)) C44H80NO7P KDEGUFHTTWTTCT-XMVXZYCSSA-N +HMDB0011251 795.614190623 PC(P-18:0/20:3(5Z,8Z,11Z)) C46H86NO7P GDXHWAGFLXXWJB-FJXNGXPBSA-N +HMDB0011252 795.614190623 PC(P-18:0/20:3(8Z,11Z,14Z)) C46H86NO7P LIRPHCPLRLOMHJ-ABWFFGIPSA-N +HMDB0011253 793.598540559 PC(P-18:0/20:4(5Z,8Z,11Z,14Z)) C46H84NO7P FHHVIBPVBBRLOR-IYACIECVSA-N +HMDB0011254 793.598540559 PC(P-18:0/20:4(8Z,11Z,14Z,17Z)) C46H84NO7P YPAPIRJFGNBODV-AMFPDOHCSA-N +HMDB0011255 791.582890495 PC(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C46H82NO7P JUCWIWDODRNWRN-REKGFNPQSA-N +HMDB0011264 855.708091007 PC(P-18:0/24:1(15Z)) C50H98NO7P FBDSXWIHBJVKBS-LFSKQVNVSA-N +HMDB0011267 755.619276491 PC(P-18:0/P-18:1(11Z)) C44H86NO6P DEVPFGKZYDKHPW-HAZBOWNZSA-N +HMDB0011268 755.619276491 PC(P-18:0/P-18:1(9Z)) C44H86NO6P WMOITMSBEGXTBM-XFCCLYIASA-N +HMDB0011272 743.582890495 PC(P-18:1(11Z)/16:0) C42H82NO7P MBRHHFWRXQYYAN-RTVLTNFHSA-N +HMDB0011273 741.567240431 PC(P-18:1(11Z)/16:1(9Z)) C42H80NO7P MKSPXEKLAWXUQB-YZISGTAMSA-N +HMDB0011274 771.614190623 PC(P-18:1(11Z)/18:0) C44H86NO7P JYHADTSONAUXLU-NMAVXMHBSA-N +HMDB0011275 769.598540559 PC(P-18:1(11Z)/18:1(11Z)) C44H84NO7P SOSODLPIZNSISY-WDMTWABASA-N +HMDB0011276 769.598540559 PC(P-18:1(11Z)/18:1(9Z)) C44H84NO7P AUUCOMCTAAUNNA-ASBBCAPCSA-N +HMDB0011277 767.582890495 PC(P-18:1(11Z)/18:2(9Z,12Z)) C44H82NO7P ABOXWZCNWOBUEO-DNRJJOHKSA-N +HMDB0011278 765.567240431 PC(P-18:1(11Z)/18:3(6Z,9Z,12Z)) C44H80NO7P RWVKPDIHPPTVRQ-HWGQMOSASA-N +HMDB0011279 765.567240431 PC(P-18:1(11Z)/18:3(9Z,12Z,15Z)) C44H80NO7P JPNFMUKASUYGCK-ZXWSQSGJSA-N +HMDB0011280 763.551590367 PC(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C44H78NO7P DBMSAJFSJLCYLI-YAYDGDQKSA-N +HMDB0011283 795.614190623 PC(P-18:1(11Z)/20:2(11Z,14Z)) C46H86NO7P HIXAZEWYTJZKID-PYOQPOKHSA-N +HMDB0011284 793.598540559 PC(P-18:1(11Z)/20:3(5Z,8Z,11Z)) C46H84NO7P DYFGXBAIDOATAE-DSLLYOFSSA-N +HMDB0011285 793.598540559 PC(P-18:1(11Z)/20:3(8Z,11Z,14Z)) C46H84NO7P DBQMOXDLWKVKKG-REWQMPQJSA-N +HMDB0011286 791.582890495 PC(P-18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C46H82NO7P HFQNRECNIUNPMU-PAAZZWMASA-N +HMDB0011287 791.582890495 PC(P-18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C46H82NO7P HPXHHJRUVZWLFU-BKTRUPHPSA-N +HMDB0011288 789.567240431 PC(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C46H80NO7P FJKJTTCPLFXVEB-VRIHKRKTSA-N +HMDB0011296 855.708091007 PC(P-18:1(11Z)/24:0) C50H98NO7P FKJFQKGICJZAJQ-XWKRXFSPSA-N +HMDB0011297 853.692440943 PC(P-18:1(11Z)/24:1(15Z)) C50H96NO7P JSYLSPXKJLUURP-AGCBSNCXSA-N +HMDB0011298 727.587976362 PC(P-18:1(11Z)/P-16:0) C42H82NO6P XLEOVOQTBCNRSS-JLFFLFAUSA-N +HMDB0011299 755.619276491 PC(P-18:1(11Z)/P-18:0) C44H86NO6P QZOQBILZVZLLKA-VXUWBODBSA-N +HMDB0011300 753.603626427 PC(P-18:1(11Z)/P-18:1(11Z)) C44H84NO6P LTQBTADUGKSCOZ-WRCNLVTNSA-N +HMDB0011301 753.603626427 PC(P-18:1(11Z)/P-18:1(9Z)) C44H84NO6P IGBGWQZLCURPQD-JNWNPKLHSA-N +HMDB0011305 743.582890495 PC(P-18:1(9Z)/16:0) C42H82NO7P IWCUEZYKNAGNRQ-ILDAMNDZSA-N +HMDB0011306 741.567240431 PC(P-18:1(9Z)/16:1(9Z)) C42H80NO7P SUJRZRVPVIAXCE-PYRHUWMFSA-N +HMDB0011307 771.614190623 PC(P-18:1(9Z)/18:0) C44H86NO7P ZOTYCHIFTCFAHC-KOUVQCMKSA-N +HMDB0011308 769.598540559 PC(P-18:1(9Z)/18:1(11Z)) C44H84NO7P PQIJYJGVCKCIRT-YLCPJMBASA-N +HMDB0011309 769.598540559 PC(P-18:1(9Z)/18:1(9Z)) C44H84NO7P DIHWZUCEXWUHOD-IIVNATNGSA-N +HMDB0011310 767.582890495 PC(P-18:1(9Z)/18:2(9Z,12Z)) C44H82NO7P GCJSAIGGRCSHDG-UWGOCUKWSA-N +HMDB0011311 765.567240431 PC(P-18:1(9Z)/18:3(6Z,9Z,12Z)) C44H80NO7P UMVUERLCXMUMBK-DSXXCHKPSA-N +HMDB0011312 765.567240431 PC(P-18:1(9Z)/18:3(9Z,12Z,15Z)) C44H80NO7P ACSIRQPNAYTBRW-CBOVKQJBSA-N +HMDB0011313 763.551590367 PC(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C44H78NO7P UMDQTGZSPMWPID-CYNKDJQJSA-N +HMDB0011316 795.614190623 PC(P-18:1(9Z)/20:2(11Z,14Z)) C46H86NO7P GWBOVQHRCURSPU-QMFAPAEZSA-N +HMDB0011317 793.598540559 PC(P-18:1(9Z)/20:3(5Z,8Z,11Z)) C46H84NO7P CJYQPRLJFDUQJN-XDCBNNJESA-N +HMDB0011318 793.598540559 PC(P-18:1(9Z)/20:3(8Z,11Z,14Z)) C46H84NO7P MTMYCMNVROYPNG-URFJOBLASA-N +HMDB0011319 791.582890495 PC(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C46H82NO7P HNUHLIYPMNZVJJ-HCMWKDOBSA-N +HMDB0011320 791.582890495 PC(P-18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C46H82NO7P KMIAOCFPRZDKBX-NDLZGGRQSA-N +HMDB0011321 789.567240431 PC(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C46H80NO7P ZODCGHWSTRZXKA-HALYXBRLSA-N +HMDB0011329 855.708091007 PC(P-18:1(9Z)/24:0) C50H98NO7P GJCSGDXRDRUPGA-NOOMALMASA-N +HMDB0011330 853.692440943 PC(P-18:1(9Z)/24:1(15Z)) C50H96NO7P MHYVCIAEFGWAIU-SKTGCJPMSA-N +HMDB0011331 727.587976362 PC(P-18:1(9Z)/P-16:0) C42H82NO6P DKCXAWVKSPBFRB-BCZCSWKFSA-N +HMDB0011332 755.619276491 PC(P-18:1(9Z)/P-18:0) C44H86NO6P YJTJKQOTVSAOSY-NZPQLVOLSA-N +HMDB0011333 753.603626427 PC(P-18:1(9Z)/P-18:1(11Z)) C44H84NO6P AONWYGCJCICSCF-UVRXSTQASA-N +HMDB0011334 753.603626427 PC(P-18:1(9Z)/P-18:1(9Z)) C44H84NO6P WBQMXDUFWFHART-DZZHLSRZSA-N +HMDB0011469 74.073164942 2-Butanol C4H10O BTANRVKWQNVYAZ-UHFFFAOYSA-N +HMDB0011619 298.323565966 "Arachidyl alcohol" C20H42O BTFJIXJJCSYFAL-UHFFFAOYSA-N +HMDB0011623 156.151415262 Decanal C10H20O KSMVZQYAVGTKIV-UHFFFAOYSA-N +HMDB0011625 137.966200885 Dimethylarsinate C2H7AsO2 OGGXGZAMXPVRFZ-UHFFFAOYSA-N +HMDB0011626 186.198365454 Dodecanol C12H26O LQZZUXJYWNFBMV-UHFFFAOYSA-N +HMDB0011635 188.014329434 "p-Cresol sulfate" C7H8O4S WGNAKZGUSRVWRH-UHFFFAOYSA-N +HMDB0011697 815.700600326 SM(d18:1/24:0) C47H96N2O6P QEDPUVGSSDPBMD-XTAIVQBESA-O +HMDB0011724 124.0524295 "4-Hydroxybenzyl alcohol" C7H8O2 BVJSUAQZOZWCKN-UHFFFAOYSA-N +HMDB0011733 132.053492132 Glycyl-glycine C4H8N2O3 YMAWOPBAYDPSLA-UHFFFAOYSA-N +HMDB0011745 191.061613977 N-Acetyl-L-methionine C7H13NO3S XUYPXLNMDZIRQH-UHFFFAOYSA-N +HMDB0011749 99.068413915 2-Piperidinone C5H9NO XUWHAWMETYGRKB-UHFFFAOYSA-N +HMDB0011756 173.105193351 N-Acetylleucine C8H15NO3 WXNXCEHXYPACJF-ZETCQYMHSA-N +HMDB0012101 728.583224846 SM(d18:1/18:1(9Z)) C41H81N2O6P NBEADXWAAWCCDG-QDDWGVBQSA-N +HMDB0012107 812.67712523 SM(d18:1/24:1(15Z)) C47H93N2O6P WKZHECFHXLTOLJ-QYKFWSDSSA-N +HMDB0012136 75.068413915 1-Amino-propan-2-ol C3H9NO HXKKHQJGJAFBHI-UHFFFAOYSA-N +HMDB0012141 134.057908808 (R)-2,3-Dihydroxy-isovalerate C5H10O4 JTEYKUFKXGDTEU-VKHMYHEASA-N +HMDB0012154 159.089543287 3-Dehydrocarnitine C7H13NO3 YNOWULSFLVIUDH-UHFFFAOYSA-N +HMDB0012308 152.047344122 Vanillin C8H8O3 MWOOGOJBHIARFG-UHFFFAOYSA-N +HMDB0012328 254.224580204 "Palmitelaidic acid" C16H30O2 SECPZKHBENQXJG-BQYQJAHWSA-N +HMDB0012843 132.07864425 "6-Hydroxyhexanoic acid" C6H12O3 IWHLYPDWHHPVAA-UHFFFAOYSA-N +HMDB0012971 102.10446507 1-Hexanol C6H14O ZSIAUFGUXNUGDI-UHFFFAOYSA-N +HMDB0013036 88.088815006 1-Pentanol C5H12O AMQJEAYHLZJPGS-UHFFFAOYSA-N +HMDB0013124 215.115758037 Propenoylcarnitine C10H17NO4 YUCNWOKTRWJLGY-QMMMGPOBSA-N +HMDB0013131 275.173272915 Hydroxyhexanoycarnitine C13H25NO5 VYEONLJQPYRKAN-DTIOYNMSSA-N +HMDB0013302 312.147392516 Phenylalanylphenylalanine C18H20N2O3 GKZIWHRNKRBEOH-UHFFFAOYSA-N +HMDB0013334 395.303558805 9,12-Hexadecadienoylcarnitine C23H41NO4 AHZCIODFJPNPKS-XBDLETADSA-N +HMDB0013404 717.567240431 PC(o-16:0/16:1(9Z)) C40H80NO7P HJVQHTGUAIETCQ-VEAYGOGPSA-N +HMDB0013405 747.614190623 PC(o-16:0/18:0) C42H86NO7P PXPSGTINXJQLBR-VQJSHJPSSA-N +HMDB0013407 767.582890495 PC(o-16:0/20:4(8Z,11Z,14Z,17Z)) C44H82NO7P SOUZQPFUXRVDGK-KCTKZSJBSA-N +HMDB0013408 803.676790879 PC(o-16:0/22:0) C46H94NO7P BIIIEBBIUJYGBZ-WBVITSLISA-N +HMDB0013412 745.598540559 PC(o-16:1(9Z)/18:0) C42H84NO7P SVSLBZPEDBYFGG-HVLKLTLRSA-N +HMDB0013414 773.629840687 PC(o-16:1(9Z)/20:0) C44H88NO7P NEMVGIRAGVGOLH-RPBJOJELSA-N +HMDB0013418 771.614190623 PC(o-18:0/18:2(9Z,12Z)) C44H86NO7P LMGTVCKIUNTOEP-HJTCUGKVSA-N +HMDB0013419 803.676790879 PC(o-18:0/20:0) C46H94NO7P BVCZSMAYNCVQDT-WBVITSLISA-N +HMDB0013420 795.614190623 PC(o-18:0/20:4(8Z,11Z,14Z,17Z)) C46H86NO7P GBNPCIWXLWZJGA-IGBSIYCFSA-N +HMDB0013424 745.598540559 PC(o-18:1(11Z)/16:0) C42H84NO7P QCGUXAIDEOWPBV-SNKLRXETSA-N +HMDB0013425 769.598540559 PC(o-18:1(11Z)/18:2(9Z,12Z)) C44H84NO7P KBRIWDRDGVERBB-VXKJXORPSA-N +HMDB0013426 745.598540559 PC(o-18:1(9Z)/16:0) C42H84NO7P IQLHTKSHLGLPMG-HFWGUVFESA-N +HMDB0013427 773.629840687 PC(o-18:1(9Z)/18:0) C44H88NO7P KKPRQPUSFKIYMO-GRVDSVFJSA-N +HMDB0013428 771.614190623 PC(o-18:1(9Z)/18:1(11Z)) C44H86NO7P GSROTDACALJGFK-YIFANWOHSA-N +HMDB0013429 769.598540559 PC(o-18:1(9Z)/18:2(9Z,12Z)) C44H84NO7P MFZLAZYUXHHSIA-HVODBARTSA-N +HMDB0013432 793.598540559 PC(o-18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C46H84NO7P VJNPDLZENXBRLB-MQEDXBOASA-N +HMDB0013435 767.582890495 PC(o-18:2(9Z,12Z)/18:2(9Z,12Z)) C44H82NO7P XCCONPVPHCCYNF-KPFPPAHTSA-N +HMDB0013437 827.676790879 PC(o-18:2(9Z,12Z)/22:0) C48H94NO7P DMPIMBNFIDOLGO-DTRJYZOJSA-N +HMDB0013438 855.708091007 PC(o-18:2(9Z,12Z)/24:0) C50H98NO7P SJLRNWKFILQPDM-AARZFCJCSA-N +HMDB0013439 797.629840687 PC(o-20:0/18:3(6Z,9Z,12Z)) C46H88NO7P XHKFHCCQLHPBPZ-WKDUQDSSSA-N +HMDB0013440 797.629840687 PC(o-20:0/18:3(9Z,12Z,15Z)) C46H88NO7P APWUUZRAVVATRC-GBRUYZQDSA-N +HMDB0013444 821.629840687 PC(o-20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C48H88NO7P UNAQSIZPRIMCTB-QXUJVPJQSA-N +HMDB0013449 881.723741071 PC(o-22:0/22:3(10Z,13Z,16Z)) C52H100NO7P CQBVYLALIKLMGX-TYGMOWAISA-N +HMDB0013452 881.723741071 PC(o-22:1(13Z)/22:2(13Z,16Z)) C52H100NO7P VCODWVLGDPOACA-DRGSQYEJSA-N +HMDB0013453 879.708091007 PC(o-22:1(13Z)/22:3(10Z,13Z,16Z)) C52H98NO7P ADCPDRAGQLKVRI-DFPONBFASA-N +HMDB0013455 879.708091007 PC(o-22:2(13Z,16Z)/22:2(13Z,16Z)) C52H98NO7P GCAMFMBVIXVYSA-VIVKCUGUSA-N +HMDB0013456 877.692440943 PC(o-22:2(13Z,16Z)/22:3(10Z,13Z,16Z)) C52H96NO7P CEZAZXUWDFPTTE-FHIJIHMSSA-N +HMDB0013458 853.692440943 PC(o-24:0/18:3(6Z,9Z,12Z)) C50H96NO7P LDFITNYTODJQBW-AQBSXLNYSA-N +HMDB0013459 853.692440943 PC(o-24:0/18:3(9Z,12Z,15Z)) C50H96NO7P NIIFWBWRLRQUHB-LSTCNRAPSA-N +HMDB0013460 879.708091007 PC(o-24:0/20:4(8Z,11Z,14Z,17Z)) C52H98NO7P AQJDGYZOTXPNFY-ZFRXABNDSA-N +HMDB0013461 840.708425358 SM(d18:1/26:1(17Z)) C49H97N2O6P YXEXWUZHFGYOHJ-UOJCCMJYSA-N +HMDB0013463 716.54683934 SM(d18:0/16:1(9Z)(OH)) C39H77N2O7P LPHMSPONPQCKTL-FKUNDBCPSA-N +HMDB0013464 702.567574782 SM(d18:0/16:1(9Z)) C39H79N2O6P CGVOQSQIYSUXAT-PPLFXBRHSA-N +HMDB0013466 800.640739724 SM(d18:0/22:1(13Z)(OH)) C45H89N2O7P ZUSFLIGNJFDBRL-FYGIKZFGSA-N +HMDB0013467 798.62508966 SM(d18:0/22:2(13Z,16Z)(OH)) C45H87N2O7P DRKCMBAZIYFIGX-ZWLRGCNFSA-N +HMDB0013469 828.672039852 SM(d18:0/24:1(15Z)(OH)) C47H93N2O7P IOOMOQUTKQGEFH-BSZNTFKYSA-N +HMDB0013667 88.905847902 Yttrium Y VWQVUPCCIRVNHF-UHFFFAOYSA-N +HMDB0013669 132.90544687 Cesium Cs TVFDJXOCXUVLDH-UHFFFAOYSA-N +HMDB0013670 105.903483087 Palladium Pd KDLHZDBZIXYQEI-UHFFFAOYSA-N +HMDB0013671 194.964774449 Platinum Pt BASFCYQUMIYNBI-UHFFFAOYSA-N +HMDB0013672 139.905434035 Cerium Ce GWXLDORMOJMVQZ-UHFFFAOYSA-N +HMDB0013711 138.90634816 Lanthanum La FZLIPJUXYLNCLC-UHFFFAOYSA-N +HMDB0013715 141.907718643 Neodymium Nd QEFYFXOXNSNQGX-UHFFFAOYSA-N +HMDB0013724 239.943281 Thallium ClTl GBECUEIQVRDUKB-UHFFFAOYSA-M +HMDB0013780 125.963162262 "Dimethyl trisulfide" C2H6S3 YWHLKYXPLRWGSE-UHFFFAOYSA-N +HMDB0013824 138.10446507 2-Pentylfuran C9H14O YVBAUDVGOFCUSG-UHFFFAOYSA-N +HMDB0015016 504.203196424 Chlorhexidine C22H30Cl2N10 GHXZTYHSJHQHIJ-UHFFFAOYSA-N +HMDB0015144 254.094294314 Ketoprofen C16H14O3 DKYWVDODHFEZIM-UHFFFAOYSA-N +HMDB0015532 63.929146578 Zinc Zn HCHKCACWOHOZIP-UHFFFAOYSA-N +HMDB0028690 202.131742452 Alanyl-Isoleucine C9H18N2O3 ZSOICJZJSRWNHX-UHFFFAOYSA-N +HMDB0028691 202.131742452 Alanyl-Leucine C9H18N2O3 RDIKFPRVLJLMER-UHFFFAOYSA-N +HMDB0028695 186.100442324 Alanyl-Proline C8H14N2O3 WPWUFUBLGADILS-UHFFFAOYSA-N +HMDB0028700 188.116092383 Alanyl-Valine C8H16N2O3 LIWMQSWFLXEGMA-WDSKDSINSA-N +HMDB0028816 250.062342733 Glutamylcysteine C8H14N2O5S PABVKUJVLNMOJP-WHFBIAKZSA-N +HMDB0028844 188.116092388 Glycyl-Isoleucine C8H16N2O3 KGVHCTWYMPWEGN-UHFFFAOYSA-N +HMDB0028848 222.100442324 Glycyl-Phenylalanine C11H14N2O3 JBCLFWXMTIKCCB-UHFFFAOYSA-N +HMDB0028853 238.095356939 Glycyltyrosine C11H14N2O4 XBGGUPMXALFZOT-VIFPVBQESA-N +HMDB0028854 174.100442324 Glycyl-Valine C7H14N2O3 STKYPAFSDFAEPH-UHFFFAOYSA-N +HMDB0028910 244.178692644 Isoleucyl-Isoleucine C12H24N2O3 BCVIOZZGJNOEQS-UHFFFAOYSA-N +HMDB0028911 244.178692644 Isoleucyl-Leucine C12H24N2O3 JWBXCSQZLLIOCI-UHFFFAOYSA-N +HMDB0028932 244.178692644 Leucyl-Isoleucine C12H24N2O3 AZLASBBHHSLQDB-UHFFFAOYSA-N +HMDB0028933 244.178692644 Leucyl-Leucine C12H24N2O3 LCPYQJIKPJDLLB-UHFFFAOYSA-N +HMDB0029068 266.126657074 Threoninyl-Phenylalanine C13H18N2O4 IQHUITKNHOKGFC-UHFFFAOYSA-N +HMDB0029126 246.121571688 Valyl-Glutamate C10H18N2O5 UPJONISHZRADBH-UHFFFAOYSA-N +HMDB0029201 179.94654876 Hafnium Hf VBJZVLUMGGDVMO-UHFFFAOYSA-N +HMDB0029595 128.15650064 Nonane C9H20 BKIMMITUMNQMOS-UHFFFAOYSA-N +HMDB0029596 117.914383153 Chloroform CHCl3 HEDRZPFGACZZDS-UHFFFAOYSA-N +HMDB0029597 84.093900384 Cyclohexane C6H12 XDTMQSROBMDMFD-UHFFFAOYSA-N +HMDB0029600 86.109550448 Hexane C6H14 VLKZOEOYAKHREP-UHFFFAOYSA-N +HMDB0029635 136.0524295 "4-Methylbenzoic acid" C8H8O2 LPNBBFKOUUSUDB-UHFFFAOYSA-N +HMDB0029638 120.057514878 4-Methylbenzaldehyde C8H8O FXLOVSHXALFLKQ-UHFFFAOYSA-N +HMDB0029641 132.093900384 p-Mentha-1,3,5,8-tetraene C10H12 MMSLOZQEMPDGPI-UHFFFAOYSA-N +HMDB0029672 138.068079564 1,3-Dimethoxybenzene C8H10O2 DPZNOMCNRMUKPS-UHFFFAOYSA-N +HMDB0029686 136.0524295 4-Methoxybenzaldehyde C8H8O2 ZRSNZINYAWTAHE-UHFFFAOYSA-N +HMDB0029713 84.998619791 Thiazole C3H3NS FZWLAAWBMGSTSO-UHFFFAOYSA-N +HMDB0029723 182.999013721 Saccharin C7H5NO3S CVHZOJJKTDOEJC-UHFFFAOYSA-N +HMDB0029751 128.062600256 Naphthalene C10H8 UFWIBTONFRDIAS-UHFFFAOYSA-N +HMDB0030062 88.0524295 "Methyl propionate" C4H8O2 RJUFJBKOKNCXHH-UHFFFAOYSA-N +HMDB0030088 136.125200512 cis-Ocimene C10H16 IHPKGUQCSIINRJ-NTMALXAHSA-N +HMDB0030089 136.125200512 trans-Ocimen C10H16 IHPKGUQCSIINRJ-CSKARUKUSA-N +HMDB0030469 242.224580204 "Methyl tetradecanoate" C15H30O2 ZAZKJZBWRNNLDS-UHFFFAOYSA-N +HMDB0030837 148.088815006 Anethole C10H12O RUVINXPYWBROJD-ARJAWSKDSA-N +HMDB0030924 212.214015518 2-Tetradecanone C14H28O POQLVOYRGNFGRM-UHFFFAOYSA-N +HMDB0030928 198.198365454 Tridecanal C13H26O BGEHHAVMRVXCGR-UHFFFAOYSA-N +HMDB0030941 170.167065326 Undecanal C11H22O KMPQYAYAQWNLME-UHFFFAOYSA-N +HMDB0031019 184.18271539 2-Dodecanone C12H24O LSKONYYRONEBKA-UHFFFAOYSA-N +HMDB0031046 268.240230268 "9E-Heptadecenoic acid" C17H32O2 QSBYPNXLFMSGKH-CMDGGOBGSA-N +HMDB0031081 226.229665582 2-Pentadecanone C15H30O CJPNOLIZCWDHJK-UHFFFAOYSA-N +HMDB0031158 114.068079564 "2-Methyl-4-pentenoic acid" C6H10O2 HVRZYSHVZOELOH-UHFFFAOYSA-N +HMDB0031206 86.073164942 Pentanal C5H10O HGBOYTHUEUWSSQ-UHFFFAOYSA-N +HMDB0031217 88.0524295 "Ethyl acetate" C4H8O2 XEKOWRVHYACXOJ-UHFFFAOYSA-N +HMDB0031231 130.135765198 xi-2-Ethyl-1-hexanol C8H18O YIWUKEYIRIRTPP-UHFFFAOYSA-N +HMDB0031241 102.068079564 "Isopropyl acetate" C5H10O2 JMMWKPVZQRWMSS-UHFFFAOYSA-N +HMDB0031266 142.135765198 2-Nonanone C9H18O VKCYHJWLYTUGCC-UHFFFAOYSA-N +HMDB0031269 140.120115134 2-Nonenal C9H16O BSAIUMLZVGUGKX-FPLPWBNLSA-N +HMDB0031293 142.099379692 2,3-Octanedione C8H14O2 XCBBNTFYSLADTO-UHFFFAOYSA-N +HMDB0031294 128.120115134 2-Octanone C8H16O ZPVFWPFBNIEHGJ-UHFFFAOYSA-N +HMDB0031295 128.120115134 "Ethyl pentyl ketone" C8H16O RHLVCLIPMVJYKS-UHFFFAOYSA-N +HMDB0031296 128.120115134 (E)-2-Octen-1-ol C8H16O AYQPVPFZWIQERS-SREVYHEPSA-N +HMDB0031309 126.10446507 1-Octen-3-one C8H14O KLTVSWGXIAYTHO-UHFFFAOYSA-N +HMDB0031310 150.068079564 "Benzyl acetate" C9H10O2 QUKGYYKBILRGFE-UHFFFAOYSA-N +HMDB0031313 202.135765198 2-Pentyl-3-phenyl-2-propenal C14H18O HMKKIXGYKWDQSV-KAMYIIQDSA-N +HMDB0031409 156.151415262 2-Decanone C10H20O ZAJNGDIORYACQU-UHFFFAOYSA-N +HMDB0031429 114.10446507 2,4-Dimethyl-3-pentanone C7H14O HXVNBWAKAOHACI-UHFFFAOYSA-N +HMDB0031444 170.203450832 N-Dodecane C12H26 SNRUBQQJIBEYMU-UHFFFAOYSA-N +HMDB0031445 156.187800768 Undecane C11H24 RSJKGSCJYJTIGS-UHFFFAOYSA-N +HMDB0031447 100.125200512 N-Heptane C7H16 IMNFDUFMRHMDMM-UHFFFAOYSA-N +HMDB0031450 142.172150704 N-Decane C10H22 DIOQZVSQGTUSAI-UHFFFAOYSA-N +HMDB0031454 164.120115134 trans-Jasmone C11H16O XMLSXPIVAXONDL-SNAWJCMRSA-N +HMDB0031475 114.10446507 Heptanal C7H14O FXHGMKSSBGDXIY-UHFFFAOYSA-N +HMDB0031476 128.083729628 2,3-Heptanedione C7H12O2 FJPGAMCQJNLTJC-UHFFFAOYSA-N +HMDB0031491 114.068079564 2,3-Hexanedione C6H10O2 MWVFCEVNXHTDNF-UHFFFAOYSA-N +HMDB0031493 102.10446507 3-Hexanol C6H14O ZOCHHNOQQHDWHG-UHFFFAOYSA-N +HMDB0031496 98.073164942 2-Hexenal C6H10O MBDOYVRWFFCFHM-UHFFFAOYSA-N +HMDB0031512 84.057514878 "Tiglic aldehyde" C5H8O ACWQBUSCFPJUPN-HYXAFXHYSA-N +HMDB0031523 74.036779436 "Methyl acetate" C3H6O2 KXKVLQRXCPHEJC-UHFFFAOYSA-N +HMDB0031526 86.073164942 (±)-2-Methylbutanal C5H10O BYGQBDHUGHBGMD-UHFFFAOYSA-N +HMDB0031530 84.057514878 3-Methyl-3-buten-2-one C5H8O ZGHFDIIVVIFNPS-UHFFFAOYSA-N +HMDB0031531 156.115029756 Dihydro-5-pentyl-2(3H)-furanone C9H16O2 OALYTRUKMRCXNH-UHFFFAOYSA-N +HMDB0031542 84.093900384 Methylcyclopentane C6H12 GDOPTJXRTPNYNR-UHFFFAOYSA-N +HMDB0031548 83.953355478 Dichloromethane CH2Cl2 YMWUJEATGCHHMB-UHFFFAOYSA-N +HMDB0031549 114.10446507 5-Methyl-2-hexanone C7H14O FFWSICBKRCICMR-UHFFFAOYSA-N +HMDB0031563 98.073164942 "4-Methyl-3-penten-2-one, 9CI" C6H10O SHOJXDKTYKFBRD-UHFFFAOYSA-N +HMDB0031566 146.073164942 2-Methyl-3-phenyl-2-propenal C10H10O VLUMOWNVWOXZAU-CLFYSBASSA-N +HMDB0031578 100.088815006 2-Methylpentanal C6H12O FTZILAQGHINQQR-UHFFFAOYSA-N +HMDB0031583 114.140850576 3-Methylheptane C8H18 LAIUFBWHERIJIH-UHFFFAOYSA-N +HMDB0031598 100.0524295 2,3-Pentanedione C5H8O2 TZMFJUDUGYTVRY-UHFFFAOYSA-N +HMDB0031607 84.057514878 1-Penten-3-one C5H8O JLIDVCMBCGBIEY-UHFFFAOYSA-N +HMDB0031630 44.062600256 Propane C3H8 ATUOYWHBWRKTHZ-UHFFFAOYSA-N +HMDB0031635 74.019020882 2-Propene-1-thiol C3H6S ULIKDJVNUXNQHS-UHFFFAOYSA-N +HMDB0031647 72.021129372 "Acrylic acid" C3H4O2 NIXOWILDQLNWCW-UHFFFAOYSA-N +HMDB0031653 88.034670946 3-(Methylthio)-1-propene C4H8S NVLPQIPTCCLBEU-UHFFFAOYSA-N +HMDB0031681 128.083729628 Dihydro-5-propyl-2(3H)-furanone C7H12O2 VLSVVMPLPMNWBH-UHFFFAOYSA-N +HMDB0031685 138.10446507 2,4-Nonadienal C9H14O ZHHYXNZJDGDGPJ-MDAAKZFYSA-N +HMDB0031736 216.151415262 2-Hexyl-3-phenyl-2-propenal C15H20O GUUHFMWKWLOQMM-NTCAYCPXSA-N +HMDB0031740 226.15689457 "Methyl dihydrojasmonate" C13H22O3 KVWWIYGFBYDJQC-GHMZBOCLSA-N +HMDB0032049 182.073164942 Benzophenone C13H10O RWCCWEUUXYIKHB-UHFFFAOYSA-N +HMDB0032051 196.146329884 "alpha-Terpineol acetate" C12H20O2 IGODOXYLBBXFDW-UHFFFAOYSA-N +HMDB0032072 132.057514878 (Z)-3-Phenyl-2-propenal C9H8O KJPRLNWUNMBNBZ-DAXSKMNVSA-N +HMDB0032562 169.089149357 Diphenylamine C12H11N DMBHHRLKUKUOEG-UHFFFAOYSA-N +HMDB0032572 152.047344122 Methylparaben C8H8O3 LXCFILQKKLGQFO-UHFFFAOYSA-N +HMDB0032610 168.093900384 4-Methylbiphenyl C13H12 ZZLCFHIKESPLTH-UHFFFAOYSA-N +HMDB0032619 122.073164942 1-Phenylethanol C8H10O WAPNOHKVXSQRPX-UHFFFAOYSA-N +HMDB0032626 150.10446507 1-Methoxy-4-propylbenzene C10H14O KBHWKXNXTURZCD-UHFFFAOYSA-N +HMDB0032965 96.057514878 2,4-Dimethylfuran C6H8O AABTWRKUKUPMJG-UHFFFAOYSA-N +HMDB0033567 196.219100896 Cyclotetradecane C14H28 KATXJJSCAPBIOB-UHFFFAOYSA-N +HMDB0033713 170.167065326 2-Undecanone C11H22O KYWIYKKSMDLRDC-UHFFFAOYSA-N +HMDB0033714 98.073164942 2-Methyl-2-pentenal C6H10O IDEYZABHVQLHAF-XQRVVYSFSA-N +HMDB0033721 254.297351216 Octadecane C18H38 RZJRJXONCZWCBN-UHFFFAOYSA-N +HMDB0033742 102.068079564 "(S)-2-Methylbutanoic acid" C5H10O2 WLAMNBDJUVNPJU-BYPYZUCNSA-N +HMDB0033788 228.20893014 "Ethyl dodecanoate" C14H28O2 MMXKVMNBHPAILY-UHFFFAOYSA-N +HMDB0033792 226.266051088 Hexadecane C16H34 DCAYPVUWAIABOU-UHFFFAOYSA-N +HMDB0033826 220.18271539 2,6-Di-tert-butyl-4-methylphenol C15H24O NLZUEZXRPGMBCV-UHFFFAOYSA-N +HMDB0033827 112.088815006 (2E)-2-Heptenal C7H12O NDFKTBCGKNOHPJ-AATRIKPKSA-N +HMDB0033910 120.057514878 Acetophenone C8H8O KWOLFJPFCHCOCG-UHFFFAOYSA-N +HMDB0033933 184.18271539 "Lauric aldehyde" C12H24O HFJRKMMYBMWEAD-UHFFFAOYSA-N +HMDB0034029 120.093900384 Isopropylbenzene C9H12 RWGFKTVRMDUZSP-UHFFFAOYSA-N +HMDB0034121 148.088815006 1-Methoxy-4-(2-propenyl)benzene C10H12O ZFMSMUAANRJZFM-UHFFFAOYSA-N +HMDB0034148 198.198365454 2-Tridecanone C13H26O CYIFVRUOHKNECG-UHFFFAOYSA-N +HMDB0034168 92.062600256 Toluene C7H8 YXFVVABEGXRONW-UHFFFAOYSA-N +HMDB0034220 180.063388116 Levoinositol C6H12O6 CDAISMWEOUEBRE-SHFUYGGZSA-N +HMDB0034233 70.041864814 (E)-2-Butenal C4H6O MLUCVPSAIODCQM-IHWYPQMZSA-N +HMDB0034235 86.073164942 2-Pentanone C5H10O XNLICIUVMPYHGG-UHFFFAOYSA-N +HMDB0034237 102.068079564 "Propyl acetate" C5H10O2 YKYONYBAUNKHLG-UHFFFAOYSA-N +HMDB0034240 104.062600256 Styrene C8H8 PPBRXRYQALVLMV-UHFFFAOYSA-N +HMDB0034282 338.3912516 Lignocerane C24H50 POOSGDOYLQNASK-UHFFFAOYSA-N +HMDB0034283 212.214015518 Tetradecanal C14H28O UHUFTBALEZWWIH-UHFFFAOYSA-N +HMDB0034284 184.219100896 Tridecane C13H28 IIYFAKIEWZDVMP-UHFFFAOYSA-N +HMDB0034289 268.31300128 Nonadecane C19H40 LQERIDTXQFOHKA-UHFFFAOYSA-N +HMDB0034296 310.28718046 "11-Eicosenoic acid" C20H38O2 BITHHVVYSMSWAG-UHFFFAOYSA-N +HMDB0034297 298.250794954 "Ricinoleic acid" C18H34O3 WBHHMMIMDMUBKC-XFXZXTDPSA-N +HMDB0034301 85.089149357 Piperidine C5H11N NQRYJNQNLNOLGT-UHFFFAOYSA-N +HMDB0034365 174.100442324 L-Theanine C7H14N2O3 DATAGRPVKZEWHA-YFKPBYRVSA-N +HMDB0034446 170.073164942 "Diphenyl ether" C12H10O USIUVYZYUHIAEV-UHFFFAOYSA-N +HMDB0034769 44.006959742 "Boric acid (HBO2)" BHO2 VGTPKLINSHNZRD-UHFFFAOYSA-N +HMDB0034975 152.120115134 Piperitone C10H16O YSTPAHQEHQSRJD-UHFFFAOYSA-N +HMDB0034976 154.135765198 (-)-Borneol C10H18O DTGKSKDOIYIVQL-QXFUBDJGSA-N +HMDB0035078 152.120115135 Geranial C10H16O WTEVQBCEXWBHNA-JXMROGBWSA-N +HMDB0035084 204.187800773 (+)-1(10),4-Cadinadiene C15H24 FUCYIEXQVQJBKY-ZFWWWQNUSA-N +HMDB0035155 154.1357652 beta-Geraniol C10H18O GLZPCOQZEFWAFX-JXMROGBWSA-N +HMDB0035226 124.0524295 2-Acetyl-5-methylfuran C7H8O2 KEFJLCGVTHRGAH-UHFFFAOYSA-N +HMDB0035474 298.28718046 "Isopropyl hexadecanoate" C19H38O2 XUGNVMKQXJXZCD-UHFFFAOYSA-N +HMDB0035604 152.120115134 Pulegone C10H16O NZGWDASTMWDZIW-MRVPVSSYSA-N +HMDB0035625 136.125200512 (-)-7,7-Dimethyl-2-methylenebicyclo[2.2.1]heptane C10H16 XCPQUQHBVVXMRQ-UHFFFAOYSA-N +HMDB0035658 136.125200512 (-)-alpha-Pinene C10H16 GRWFGVWFFZKLTI-RKDXNWHRSA-N +HMDB0035818 154.135765198 (+)-Borneol C10H18O DTGKSKDOIYIVQL-QXFUBDJGSA-N +HMDB0035824 150.104465071 Carvone C10H14O ULDHMXUKGWMISQ-UHFFFAOYSA-N +HMDB0035825 154.135765198 (-)-Dihydrocarveol C10H18O KRCZYMFUWVJCLI-MGRQHWMJSA-N +HMDB0035850 136.125200515 alpha-Phellandrene C10H16 OGLDWXZKYODSOB-UHFFFAOYSA-N +HMDB0035915 126.10446507 Sulcatone C8H14O UHEPJGULSIKKTP-UHFFFAOYSA-N +HMDB0035924 67.042199165 Pyrrole C4H5N KAESVJOAVNADME-UHFFFAOYSA-N +HMDB0036079 152.120115134 Dihydrocarvone C10H16O AZOCECCLWFDTAP-UHFFFAOYSA-N +HMDB0036080 152.120115134 (1S,4S)-Dihydrocarvone C10H16O AZOCECCLWFDTAP-IUCAKERBSA-N +HMDB0036081 136.125200515 beta-Phellandrene C10H16 LFJQCDVYDGGFCH-UHFFFAOYSA-N +HMDB0036089 150.10446507 (R)-Menthofuran C10H14O YGWKXXYGDYYFJU-UHFFFAOYSA-N +HMDB0036209 130.099379692 "Propyl 2-methylpropanoate" C7H14O2 AZFUASHXSOTBNU-UHFFFAOYSA-N +HMDB0036219 214.193280076 "Octyl 2-methylbutyrate" C13H26O2 BCOJVEMHTBSAOE-UHFFFAOYSA-N +HMDB0036413 204.187800768 alpha-Cubebene C15H24 XUEHVOLRMXNRKQ-UHFFFAOYSA-N +HMDB0036453 200.15650064 3,4-Dihydrocadalene C15H20 CUUMXRBKJIDIAY-UHFFFAOYSA-N +HMDB0036560 136.125200515 beta-Pinene C10H16 WTARULDDTDQWMU-UHFFFAOYSA-N +HMDB0036565 192.151415262 beta-Ionone C13H20O PSQYTAPXSHCGMF-BQYQJAHWSA-N +HMDB0036574 75.94414138 "Carbon disulfide" CS2 QGJOPFRUJISHPQ-UHFFFAOYSA-N +HMDB0036731 204.187800768 beta-Neoclovene C15H24 BUDWHMNUSAOQBI-UHFFFAOYSA-N +HMDB0036792 204.187800773 beta-Caryophyllene C15H24 NPNUFJAVOOONJE-GFUGXAQUSA-N +HMDB0036811 302.224580204 "Isopimaric acid" C20H30O2 MXYATHGRPJZBNA-UHFFFAOYSA-N +HMDB0036993 154.1357652 gamma-Terpineol C10H18O NNRLDGQZIVUQTE-UHFFFAOYSA-N +HMDB0036995 136.125200515 alpha-Terpinene C10H16 YHQGMYUVUMAZJR-UHFFFAOYSA-N +HMDB0036997 136.125200512 beta-Terpinene C10H16 SCWPFSIZUZUCCE-UHFFFAOYSA-N +HMDB0037013 134.109550448 p-Mentha-1,3,8-triene C10H14 XNMPFDIYAMOYRM-UHFFFAOYSA-N +HMDB0037050 134.109550448 1-Isopropyl-2-methylbenzene C10H14 WWRCMNKATXZARA-UHFFFAOYSA-N +HMDB0037213 138.140850576 xi-p-Menth-3-ene C10H18 YYCPSEFQLGXPCO-UHFFFAOYSA-N +HMDB0037268 156.187800768 xi-4-Methyldecane C11H24 DVWZNKLWPILULD-UHFFFAOYSA-N +HMDB0037784 204.187800773 (+)-alpha-Muurolene C15H24 QMAYBMKBYCGXDH-UHFFFAOYSA-N +HMDB0037790 62.036779436 "Polyethylene glycol" C2H6O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N +HMDB0038121 136.125200515 1,7,7-Trimethyltricyclo[2.2.1.02,6]heptane C10H16 RRBYUSWBLVXTQN-UHFFFAOYSA-N +HMDB0038155 204.187800768 beta-Bourbonene C15H24 YIRAHEODBQONHI-UHFFFAOYSA-N +HMDB0038169 136.125200515 7-Methyl-3-methylene-1,6-octadiene C10H16 UAHWPYUMFXYFJY-UHFFFAOYSA-N +HMDB0038206 204.187800773 gamma-Muurolene C15H24 WRHGORWNJGOVQY-UHFFFAOYSA-N +HMDB0038207 204.187800768 gamma-Cadinene C15H24 WRHGORWNJGOVQY-KKUMJFAQSA-N +HMDB0038311 184.146329884 xi-gamma-Undecalactone C11H20O2 PHXATPHONSXBIL-UHFFFAOYSA-N +HMDB0038604 208.109944378 "Amyl salicylate" C12H16O3 RANVDUNFZBMTBK-UHFFFAOYSA-N +HMDB0039229 257.101170605 Pyro-L-glutaminyl-L-glutamine C10H15N3O5 ILAITOFTZJRIFJ-WDSKDSINSA-N +HMDB0039618 130.099379692 "Propyl butyrate" C7H14O2 HUAZGNHGCJGYNP-UHFFFAOYSA-N +HMDB0040209 144.115029756 "Ethyl hexanoate" C8H16O2 SHZIWNPUGXLXDT-UHFFFAOYSA-N +HMDB0040240 154.081621138 2-Pentylthiophene C9H14S NOYVOSGVFSEKPR-UHFFFAOYSA-N +HMDB0040272 124.088815006 2-Butylfuran C8H12O NWZIYQNUCXUJJJ-UHFFFAOYSA-N +HMDB0040392 270.255880332 "Isopropyl tetradecanoate" C17H34O2 AXISYYRBXTVTFY-UHFFFAOYSA-N +HMDB0040966 110.109550448 1,3-Octadiene C8H14 QTYUSOHYEPOHLV-FNORWQNLSA-N +HMDB0041288 186.198365454 2-Butyl-1-octanol C12H26O XMVBHZBLHNOQON-UHFFFAOYSA-N +HMDB0041576 204.187800773 beta-Cadinene C15H24 USDOQCCMRDNVAH-UHFFFAOYSA-N +HMDB0041607 138.068079562 2-Phenoxyethanol C8H10O2 QCDWFXQBSFUVSP-UHFFFAOYSA-N +HMDB0041822 56.02621475 Acrolein C3H4O HGINCPLSRVDWNT-UHFFFAOYSA-N +HMDB0041980 163.875410828 Perchloroethylene C2Cl4 CYTYCFOTNPOANT-UHFFFAOYSA-N +HMDB0059655 148.037173366 2-Hydroxyglutarate C5H8O5 HWXBTNAVRSUOJR-UHFFFAOYSA-N +HMDB0059698 198.140850576 Cadalene C15H18 VMOJIHDTVZTGDO-UHFFFAOYSA-N +HMDB0059819 120.093900384 o-Ethyltoluene C9H12 HYFLWBNQFMXCPA-UHFFFAOYSA-N +HMDB0059820 242.224580204 Isopropyl_laurate C15H30O2 UJPPXNXOEVDSRW-UHFFFAOYSA-N +HMDB0059829 200.15650064 "Isolongifolene, 4,5,9,10-dehydro-" C15H20 MOLSSUUBCUMURN-UHFFFAOYSA-N +HMDB0059830 240.281701152 Heptadecane C17H36 NDJKXXJCMXVBJW-UHFFFAOYSA-N +HMDB0059835 142.135765198 Nonanal C9H18O GYHFUZHODSMOHU-UHFFFAOYSA-N +HMDB0059839 136.125200515 Camphene C10H16 CRPUJAZIXJMDBK-UHFFFAOYSA-N +HMDB0059843 88.034670946 (1E)-1-(methylthio)prop-1-ene C4H8S YJOGCMRDEUBRJD-ONEGZZNKSA-N +HMDB0059851 106.07825032 o-Xylene C8H10 CTQNGGLPUBDAKN-UHFFFAOYSA-N +HMDB0059864 154.135765198 Isomenthone C10H18O NFLGAXVYCFJBMK-UHFFFAOYSA-N +HMDB0059874 168.187800768 1-Dodecene C12H24 CRSBERNSMYQZNG-UHFFFAOYSA-N +HMDB0059883 192.151415262 alpha-Ionone C13H20O UZFLPKAIBPNNCA-BQYQJAHWSA-N +HMDB0059886 212.250401024 Pentadecane C15H32 YCOZIPAWZNQLMR-UHFFFAOYSA-N +HMDB0059897 146.073164942 "Benzofuran, 4,7-dimethyl-" C10H10O PFXVPEGRXODMIQ-UHFFFAOYSA-N +HMDB0059901 120.093900384 Hemimellitene C9H12 FYGHSUNMUKGBRK-UHFFFAOYSA-N +HMDB0059906 190.135765198 Megastigmatrienone C13H18O YKVWPZJHENXDAJ-VOTSOKGWSA-N +HMDB0059907 198.23475096 Tetradecane C14H30 BGHCVCJVXZWKCC-UHFFFAOYSA-N +HMDB0059909 282.328651344 Eicosane C20H42 CBFCDTFDPHXCNY-UHFFFAOYSA-N +HMDB0059924 106.07825032 p-Xylene C8H10 URLKBWYHVLBVBO-UHFFFAOYSA-N +HMDB0060179 153.009578407 3-Sulfinato-L-alaninate C3H7NO4S ADVPTQAUNPRNPO-REOHCLBHSA-N +HMDB0060180 185.99293909 (2R)-2-Hydroxy-3-(phosphonatooxy)propanoate C3H7O7P OSJPPGNTCRNQQC-UWTATZPHSA-N +HMDB0060256 166.047738052 L-Xylonate C5H10O6 QXKAIJAYHKCRRA-NUNKFHFFSA-N +HMDB0060260 167.020514982 "Urate radical" C5H3N4O3 RKXSGLUFSIPOGU-UHFFFAOYSA-N +HMDB0061385 287.951162589 Triclosan C12H7Cl3O2 XEFQLINVKFYRCS-UHFFFAOYSA-N +HMDB0061708 296.23514489 13-HODE C18H32O3 HNICUWMFWZBIFP-IRQZEAMPSA-N +HMDB0061717 261.121237336 Succinylcarnitine C11H19NO6 HAEVNYBCYZZDFL-MRVPVSSYSA-N +HMDB0061779 204.187800773 Isocaryophyllene C15H24 NPNUFJAVOOONJE-FLFDDASRSA-N +HMDB0061780 206.203450832 1,1,2-Trimethyl-3,5-bis(1-methylethenyl)cyclohexane C15H26 JGZYEZBCFOHEEC-UHFFFAOYSA-N +HMDB0061781 228.20893014 "10-Methyltridecanoic acid" C14H28O2 OVRJJCKGCSPVGT-UHFFFAOYSA-N +HMDB0061782 296.344301408 Heneicosane C21H44 FNAZRRHPUDJQCJ-UHFFFAOYSA-N +HMDB0061783 98.109550448 (E)-Hept-2-ene C7H14 OTTZHAVKAVGASB-HWKANZROSA-N +HMDB0061785 147.104799421 3-Methyl-3-phenylazetidine C10H13N YOLLUMURPUEOJW-UHFFFAOYSA-N +HMDB0061786 163.099714043 n-Propylbenzamide C10H13NO DYZWXBMTHNHXML-UHFFFAOYSA-N +HMDB0061787 134.109550448 (3E,5E)-2,6-Dimethyl-1,3,5,7-octatetraene C10H14 HPZWSJQQCJZBBG-LQPGMRSMSA-N +HMDB0061788 150.10446507 (S)-2-methyl-5-(1-Methylethenyl)-2-cyclohexen-1-one C10H14O ULDHMXUKGWMISQ-SECBINFHSA-N +HMDB0061789 136.125200512 2,6-Dimethyl-2,4,6-octatriene C10H16 GQVMHMFBVWSSPF-UHFFFAOYSA-N +HMDB0061790 136.125200515 "Santolina triene " C10H16 ZQGDEJAPCUGBRH-UHFFFAOYSA-N +HMDB0061791 136.125200512 2,7,7-Trimethyl-bicyclo[2.2.1]hept-2-ene C10H16 QWEFTWKQGYFNTF-UHFFFAOYSA-N +HMDB0061792 136.125200512 3-Methylene-1,5,5-trimethylcyclohexene C10H16 ZKXYHQFGFMZPPJ-UHFFFAOYSA-N +HMDB0061793 136.125200512 Isolimonene C10H16 TWCNAXRPQBLSNO-UWVGGRQHSA-N +HMDB0061795 138.140850576 (S)-3,7-Dimethyl-1,6-octadiene C10H18 FUDNBFMOXDUIIE-SNVBAGLBSA-N +HMDB0061796 138.14085058 cis-Carane C10H18 BWRHOYDPVJPXMF-UHFFFAOYSA-N +HMDB0061797 138.140850576 2-Menthene C10H18 WHNGPXQYYRWQAS-VHSXEESVSA-N +HMDB0061798 138.140850576 1-Methyl-3-(2-methyl-1-propenyl)cyclopentane C10H18 ZNVLSGKSXSJTNY-UHFFFAOYSA-N +HMDB0061799 138.140850576 1-Methyl-3-(2-methyl-2-propenyl)-cyclopentane C10H18 LRXVCZRWTBKTGT-UHFFFAOYSA-N +HMDB0061800 138.140850576 1-(3-Methylbutyl)-cyclopentene C10H18 LDBWEVZRYRUOOH-UHFFFAOYSA-N +HMDB0061801 138.140850576 3-(2-Methylpropyl)-cyclohexene C10H18 NVLNRIBMCIJLQD-UHFFFAOYSA-N +HMDB0061802 154.135765198 5-Methyl-2-(1-methylethyl)-cyclohexanone C10H18O NFLGAXVYCFJBMK-YGPZHTELSA-N +HMDB0061803 140.15650064 cis-3-Decene C10H20 GVRWIAHBVAYKIZ-ALCCZGGFSA-N +HMDB0061805 172.146329884 "(2S)-2-Ethylhexyl acetate" C10H20O2 WOYWLLHHWAMFCB-JTQLQIEISA-N +HMDB0061806 142.172150704 3,3,5-Trimethylheptane C10H22 VRVRZZWPKABUOE-UHFFFAOYSA-N +HMDB0061807 265.966812653 "alpha-Trichloromethylbenzyl acetate" C10H9Cl3O2 JKRWZLOCPLZZEI-UHFFFAOYSA-N +HMDB0061808 146.109550448 (3-Methyl-2-butenyl)-benzene C11H14 XGADZHWYGCKKJF-UHFFFAOYSA-N +HMDB0061809 148.125200512 1-Methyl-4-(1-methylpropyl)-benzene C11H16 LWCFXYMSEGQWNB-UHFFFAOYSA-N +HMDB0061810 148.125200512 2,4-Dimethyl-1-(1-methylethyl)-benzene C11H16 AADQFNAACHHRLT-UHFFFAOYSA-N +HMDB0061811 150.140850576 4-Methyl-2-methylene-1-(1methylethylidene)-cyclohexane C11H18 CDVJOIYHIIZJKX-UHFFFAOYSA-N +HMDB0061812 154.172150704 (E)-5-Undecene C11H22 NGCRXXLKJAAUQQ-PKNBQFBNSA-N +HMDB0061813 160.125200512 1-(1-Methylethenyl)-4-(1-methylethyl)benzene C12H16 XMCNZCCURGYSDQ-UHFFFAOYSA-N +HMDB0061814 160.125200512 1-(1-methylethenyl)-3-(1-methylethyl)-benzene C12H16 BDXXZCIRCYKRBT-UHFFFAOYSA-N +HMDB0061815 162.140850576 Hexylbenzene C12H18 LTEQMZWBSYACLV-UHFFFAOYSA-N +HMDB0061816 196.146329884 3,7-Dimethyl-2,6-octadien-1-ylacetate C12H20O2 HIGQPQRQIQDZMP-UHFFFAOYSA-N +HMDB0061817 166.172150704 1,1'-Ethylidenebis-cyclopentane C12H22 XWKIKXOZAGBKSO-UHFFFAOYSA-N +HMDB0061818 166.172150704 (E,Z)-2,4-Dodecadiene C12H22 NJMCFBIRFRIKSQ-PKWCJPJFSA-N +HMDB0061819 168.187800768 (E)-2-Dodecene C12H24 ADOQBZAVKYCFOI-HWKANZROSA-N +HMDB0061820 168.187800768 (Z)-3-Dodecene C12H24 WLTSXAIICPDFKI-ALCCZGGFSA-N +HMDB0061821 168.187800768 (E)-3-Dodecene C12H24 WLTSXAIICPDFKI-FNORWQNLSA-N +HMDB0061822 282.167853186 "Hexaethylene glycol" C12H26O7 IIRDTKBZINWQAW-UHFFFAOYSA-N +HMDB0061823 220.109944378 "3-Hexenyl salicylic acid" C13H16O3 IEPWIPZLLIOZLU-ONEGZZNKSA-N +HMDB0061824 174.140850576 1-Methyl-4-(1-methyl-2-propenyl)-benzene C13H18 IRICXAFZMINCTB-UHFFFAOYSA-N +HMDB0061825 176.15650064 1-Phenylheptane C13H20 LBNXAWYDQUGHGX-UHFFFAOYSA-N +HMDB0061826 176.15650064 1-Methyl-2-n-hexylbenzene C13H20 BNXNQXKAEVKUJG-UHFFFAOYSA-N +HMDB0061827 182.203450832 6-Tridecene C13H26 QHOMPCGOCNNMFK-QBFSEMIESA-N +HMDB0061828 214.193280076 "9-Methyldodecanoic acid" C13H26O2 NQWYEPPIHUGBHF-UHFFFAOYSA-N +HMDB0061829 214.193280076 "Isopropyl dodecanoic acid" C13H26O2 PKPPDYGHKDIKBH-UHFFFAOYSA-N +HMDB0061831 206.167065326 (Z)-alpha-Irone C14H22O JZQOJFLIJNRDHK-HWELFCKPSA-N +HMDB0061832 192.187800768 1-Acetyl-2-methylcyclopentene C14H24 PLHCNOGRIXPXHK-UHFFFAOYSA-N +HMDB0061833 196.219100896 (E)-7-Tetradecene C14H28 UBDIXSAEHLOROW-BUHFOSPRSA-N +HMDB0061834 196.219100896 1-Tetradecene C14H28 HFDVRLIODXPAHB-UHFFFAOYSA-N +HMDB0061835 326.194067936 "Heptaethylene glycol" C14H30O8 XPJRQAIZZQMSCM-UHFFFAOYSA-N +HMDB0061836 228.115029756 bis(Benzyloxy)methane C15H16O2 JCTHGPXQXLMSDK-UHFFFAOYSA-N +HMDB0061837 202.172150704 Calamenene C15H22 PGTJIOWQJWHTJJ-CHWSQXEVSA-N +HMDB0061838 202.172150704 (-)-alpha-Curcumene C15H22 VMYXUZSZMNBRCN-CQSZACIVSA-N +HMDB0061839 250.15689457 "Ethylhexyl salicylate" C15H22O3 FMRHJJZUHUTGKE-UHFFFAOYSA-N +HMDB0061840 204.187800768 beta-Clovene C15H24 NRJSJVYGFMVJAR-UHFFFAOYSA-N +HMDB0061841 204.187800768 trans-Muurola-4(14),5-diene C15H24 RNDFUOKDULDZPR-WLDKUNSKSA-N +HMDB0061843 204.187800768 "1R,3Z,9S-2,6,10,10 Tetramethylbicyclo[7.2.0]undeca-2,6-diene" C15H24 ULWLVRZSZQKPOE-HONFXZPPSA-N +HMDB0061845 204.187800768 Humulen-(v1) C15H24 NSMRKFBAPAOVQL-FLIBITNWSA-N +HMDB0061846 204.187800768 "1S,2S,5R-1,4,4 Trimethyltricyclo[6.3.1.0(2,5)]dodec-8(9)- ene" C15H24 LRDGPLGHXZSQGB-UHFFFAOYSA-N +HMDB0061847 192.187800768 1,2-Dimethyl-3,5-bis(1-methylethenyl)cyclohexane C14H24 PLHCNOGRIXPXHK-UHFFFAOYSA-N +HMDB0061848 204.187800768 beta-Elemene C15H24 OPFTUNCRGUEPRZ-QLFBSQMISA-N +HMDB0061849 204.187800768 (+)-Ledene C15H24 WGTRJVCFDUCKCM-FMKGYKFTSA-N +HMDB0061850 204.187800768 alpha-Bourbonene C15H24 FAIMMSRDTUMTQR-UHFFFAOYSA-N +HMDB0061851 204.187800773 alpha-Copaene C15H24 VLXDPFLIRFYIME-XIQJJJERSA-N +HMDB0061852 204.187800768 Ylangene C15H24 VLXDPFLIRFYIME-XTLGRWLVSA-N +HMDB0061853 204.187800768 beta-Cubebene C15H24 FSRZGYRCMPZNJF-KHMAMNHCSA-N +HMDB0061854 299.061613977 "8-Anilino-1-naphthalene sulfonate" C16H13NO3S FWEOQOXTVHGIFQ-UHFFFAOYSA-N +HMDB0061855 226.266051088 4-Methylpentadecane C16H34 ODDVOCXSLXTIIU-UHFFFAOYSA-N +HMDB0061856 242.26096571 1,1'-Oxybisoctane C16H34O NKJOXAZJBOMXID-UHFFFAOYSA-N +HMDB0061857 232.219100896 6-Phenylundecane C17H28 WCABIRIFXVXGQH-UHFFFAOYSA-N +HMDB0061859 270.255880332 "Methyl hexadecanoic acid" C17H34O2 FLIACVVOZYBSBS-UHFFFAOYSA-N +HMDB0061860 258.198365454 "2-Acetyl-3,5,5,6,8,8-hexamethyl-5,6,7,8- tetrahydronaphthalene" C18H26O DNRJTBAOUJJKDY-UHFFFAOYSA-N +HMDB0061861 290.188194698 "Octyl 4-methoxycinnamic acid" C18H26O3 YBGZDTIWKVFICR-JLHYYAGUSA-N +HMDB0061862 282.292265838 2-Nonadecanone C19H38O IEDKVDCIEARIIU-UHFFFAOYSA-N +HMDB0061863 268.31300128 3-Methyloctadecane C19H40 PGZRTPKNSFMAOP-UHFFFAOYSA-N +HMDB0061864 280.24023027 "Dihomolinoleic acid" C18H32O2 GKJZMAHZJGSBKD-JPDBVBESSA-N +HMDB0061865 310.359951472 Docosane C22H46 HOWGUJZVBDQJKV-UHFFFAOYSA-N +HMDB0061866 324.375601536 Tricosane C23H48 FIGVVZUWCLSUEI-UHFFFAOYSA-N +HMDB0061867 366.422551728 Hexacosane C26H54 HMSWAIKSFDFLKN-UHFFFAOYSA-N +HMDB0061868 394.453851856 Octacosane C28H58 ZYURHZPYMFLWSH-UHFFFAOYSA-N +HMDB0061869 41.026549101 Acetonitrile C2H3N WEVYAHXRMPXWCK-UHFFFAOYSA-N +HMDB0061871 90.05032101 1-(Methylthio)-propane C4H10S ZOASGOXWEHUTKZ-UHFFFAOYSA-N +HMDB0061872 99.014269855 Isothiocyanatocyclopropane C4H5NS JGFBQFKZKSSODQ-UHFFFAOYSA-N +HMDB0061873 70.041864814 3-Buten-2-one C4H6O FUSUHKVFWTUUBE-UHFFFAOYSA-N +HMDB0061874 70.041864814 Methacrolein C4H6O STNJBCKSHOAVAJ-UHFFFAOYSA-N +HMDB0061875 84.068748266 2-(Dimethylamino)acetonitrile C4H8N2 PLXBWEPPAAQASG-UHFFFAOYSA-N +HMDB0061876 88.034670946 (Z)-1-(Methylthio)-1-propene C4H8S YJOGCMRDEUBRJD-ARJAWSKDSA-N +HMDB0061877 119.058243159 4-Amino-3-hydroxybutyrate C4H9NO3 YQGDEPYYFWUPGO-UHFFFAOYSA-N +HMDB0061880 131.058243159 N-Acetyl-beta-alanine C5H9NO3 LJLLAWRMBZNPMO-UHFFFAOYSA-N +HMDB0061881 130.062994186 4-Acetylbutyrate C6H10O3 MGTZCLMLSSAXLD-UHFFFAOYSA-N +HMDB0061882 100.088815006 3-Methyl-1-penten-3-ol C6H12O HFYAEUXHCMTPOL-UHFFFAOYSA-N +HMDB0061884 86.109550448 2-Methylpentane C6H14 AFABGHUZZDYHJO-UHFFFAOYSA-N +HMDB0061885 86.109550448 3-Methylpentane C6H14 PFEOZHBOMNWTJB-UHFFFAOYSA-N +HMDB0061886 102.10446507 2-Hexanol C6H14O QNVRIHYSUZMSGM-UHFFFAOYSA-N +HMDB0061887 93.057849229 3-Methylpyridine C6H7N ITQTTZVARXURQS-UHFFFAOYSA-N +HMDB0061888 93.057849229 2-Methylpyridine C6H7N BSKHPKMHTQYZBB-UHFFFAOYSA-N +HMDB0061890 186.064056818 Pyroglutamylglycine C7H10N2O4 MGEFGYONNZYSPY-UHFFFAOYSA-N +HMDB0061892 98.109550448 2-Heptene C7H14 OTTZHAVKAVGASB-HYXAFXHYSA-N +HMDB0061893 98.109550448 (E)-Hept-3-ene C7H14 WZHKDGJSXCTSCK-FNORWQNLSA-N +HMDB0061894 98.109550448 (E)-4,4-Dimethyl-2-pentene C7H14 BIDIHFPLDRSAMB-AATRIKPKSA-N +HMDB0061895 98.109550448 2,4-Dimethyl-2-pentene C7H14 VVCFYASOGFVJFN-UHFFFAOYSA-N +HMDB0061896 114.10446507 2-Methyl-3-hexanone C7H14O HIGGFWFRAWSMBR-UHFFFAOYSA-N +HMDB0061897 108.093900384 (Z)-1,3-Octadiene C8H12 RRKODOZNUZCUBN-HSFFGMMNSA-N +HMDB0061898 124.088815006 Methyl-1-cyclopenten-1-yl)-ethanone C8H12O HDURLXYBKGWETC-UHFFFAOYSA-N +HMDB0061899 110.109550448 2-(Methylenebutyl)-cyclopropane C8H14 VDKZAQZRSGYRSL-POYBYMJQSA-N +HMDB0061900 110.109550448 2,4-Octadiene C8H14 NZLCAHVLJPDRBL-VSAQMIDASA-N +HMDB0061902 110.109550448 2,5-Dimethyl-2,4-hexadiene C8H14 DZPCYXCBXGQBRN-UHFFFAOYSA-N +HMDB0061903 112.125200512 (Z)-2-Octene C8H16 ILPBINAXDRFYPL-HYXAFXHYSA-N +HMDB0061904 112.125200512 (E)-2-Octene C8H16 ILPBINAXDRFYPL-UHFFFAOYSA-N +HMDB0061905 112.125200512 (Z)-3-Octene C8H16 YCTDZYMMFQCTEO-ALCCZGGFSA-N +HMDB0061906 112.125200512 (E)-3-Octene C8H16 YCTDZYMMFQCTEO-FNORWQNLSA-N +HMDB0061907 112.125200512 3-Methyleneheptane C8H16 XTVRLCUJHGUXCP-UHFFFAOYSA-N +HMDB0061908 112.125200512 3-Methyl-1-heptene C8H16 QDMFTFWKTYXBIW-UHFFFAOYSA-N +HMDB0061909 112.125200512 3-Methyl-3-heptene C8H16 AAUHUDBDDBJONC-BQYQJAHWSA-N +HMDB0061910 112.125200512 (E)-4-Methyl-2-heptene C8H16 SVGLFIBXFVQUQY-GQCTYLIASA-N +HMDB0061911 112.125200512 4-Methyl-3-heptene C8H16 KKVVJQGDNYIIMN-SOFGYWHQSA-N +HMDB0061912 128.120115134 3,4-Dimethylcyclohexanol C8H16O ZBAXJUPCYVIBSP-UHFFFAOYSA-N +HMDB0061913 128.120115134 3,5-Dimethylcyclohexanol C8H16O WIYNOPYNRFPWNB-UHFFFAOYSA-N +HMDB0061915 114.140850576 2-Methylheptane C8H18 JVSWJIKNEAIKJW-UHFFFAOYSA-N +HMDB0061918 133.052763851 1,3-Dihydro-(2H)-indol-2-one C8H7NO JYGFTBXVXVMTGB-UHFFFAOYSA-N +HMDB0061919 151.063328537 2'-Hydroxyacetanilide C8H9NO2 ADVGKWPZRIDURE-UHFFFAOYSA-N +HMDB0061920 124.125200512 Prop-2-enylcyclohexane C9H16 KVOZXXSUSRZIKD-UHFFFAOYSA-N +HMDB0061921 92.903634644 Niobium Nb QUWPZPLTANKXAM-UHFFFAOYSA-N +HMDB0061922 180.063388116 Alpha-D-Glucopyranoside C6H12O6 WQZGKKKJIJFFOK-GKFJPSPNSA-N +HMDB0061923 190.172150704 1,3-Di-tert-butylbenzene C14H22 ILNDSSCEZZFNGE-UHFFFAOYSA-N +HMDB0061924 198.23475096 2,3,5,8-Tetramethyldecane C14H30 XTIADNINQBIUNR-UHFFFAOYSA-N +HMDB0061925 300.20893014 "Dehydroabietic acid" C20H28O2 NFWKVWVWBFBAOV-IPNZSQQUSA-N +HMDB0061926 393.339550381 P,P-Dioctyldiphenylamine C28H43N QAPVYZRWKDXNDK-UHFFFAOYSA-N +HMDB0061927 118.062994186 "5-Hydroxypentanoic acid" C5H10O3 PHOJOSOUIAQEDH-UHFFFAOYSA-N +HMDB0061928 140.044899461 "Trifluoromethyl-bismethyl ketone" C5H7F3O NLCCAFQWEKMQLM-UHFFFAOYSA-N +HMDB0061929 114.068079564 Dihydro-4,4-dimethyl-2(3H)-furanone C6H10O2 LZAKUZBAAQDJCF-UHFFFAOYSA-N +HMDB0061930 146.057908808 "4-Ethoxy-4-oxobutanoic acid" C6H10O4 LOLKAJARZKDJTD-UHFFFAOYSA-N +HMDB0061931 144.115029756 Tetrahydro-2,5-dimethyl-2H-pyranmethanol C8H16O2 BJQJGDGEKXRYBA-UHFFFAOYSA-N +HMDB0061932 171.107940704 Valero-1,5-lactam C8H17NOSi PMQNJTKTWDVUNY-UHFFFAOYSA-N +HMDB0061933 147.032028409 1H-Indole-2,3-dione C8H5NO2 JXDYKVIHCLTXOP-UHFFFAOYSA-N +HMDB0061934 92.970690481 "Thiocarbamic acid" CH3NS2 DKVNPHBNOWQYFE-UHFFFAOYSA-N +HMDB0061935 264.172544634 "3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzoic acid ethyl ester" C16H24O3 UPVYFJALDJUSOV-UHFFFAOYSA-N +HMDB0061936 174.161979948 Isooctanedioldibutyrate C10H22O2 WMEDSSFYIKNTNG-UHFFFAOYSA-N +HMDB0061938 136.125200512 Isoterpinolene C10H16 CIPXOBMYVWRNLL-UHFFFAOYSA-N +HMDB0061939 179.043855423 Methyl-N,N-diethylthiocarbamate C6H13NOS2 VQRMNXBTDRJEKI-UHFFFAOYSA-N +HMDB0061942 220.109944378 "cis-3-Hexenyl salicylate" C13H16O3 IEPWIPZLLIOZLU-ARJAWSKDSA-N +HMDB0061943 222.125594442 "Hexyl salicylic acid" C13H18O3 DUKPKQFHJQGTGU-UHFFFAOYSA-N +HMDB0061944 106.062994186 Trihydroxybutane C4H10O3 GTTSNKDQDACYLV-UHFFFAOYSA-N +HMDB0061945 126.10446507 2-Ethyl-2-hexenal C8H14O PYLMCYQHBRSDND-SOFGYWHQSA-N +HMDB0061946 284.271530396 "Hexyl dodecanoate" C18H36O2 CMBYOWLFQAFZCP-UHFFFAOYSA-N +HMDB0062403 197.032422339 4-hydroxy-3-nitrophenylacetate C8H7NO5 QBHBHOSRLDPIHG-UHFFFAOYSA-N
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/out04.tabular Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,2356 @@ +HMDB_ID MzBank MetName ChemFormula INChIkey +BMDB00001 169.085126611 1-Methylhistidine C7H11N3O2 BRMWTNUJHUMWMS-LURJTMIESA-N +BMDB00008 104.047344122 "2-Hydroxybutyric acid" C4H8O3 AFENDNXGAFYKQO-UHFFFAOYSA-N +BMDB00014 227.090605919 Deoxycytidine C9H13N3O4 CKTSBUTUHBMZGZ-SHYZEUOFSA-N +BMDB00020 152.047344122 "p-Hydroxyphenylacetic acid" C8H8O3 XQXPVVBIMDBYFF-UHFFFAOYSA-N +BMDB00030 244.088163078 Biotin C10H16N2O3S YBJHBAHKTGYVGT-ZKWXMUAHSA-N +BMDB00033 226.106590334 Carnosine C9H14N4O3 CQOVPNPJLQNMDC-ZETCQYMHSA-N +BMDB00034 135.054495185 Adenine C5H5N5 GFFGJBXGBJISGV-UHFFFAOYSA-N +BMDB00037 360.193674006 Aldosterone C21H28O5 PQSUYGKTWSAVDQ-SRPWZAMTSA-N +BMDB00039 88.0524295 "Butyric acid" C4H8O2 FERIUCNNQQJTOY-UHFFFAOYSA-N +BMDB00042 60.021129372 "Acetic acid" C2H4O2 QTBSBXVTEAMEQO-UHFFFAOYSA-N +BMDB00043 117.078978601 Betaine C5H11NO2 KWIUHFFTVRNATP-UHFFFAOYSA-N +BMDB00044 176.032087988 "Ascorbic acid" C6H8O6 TYQCGQRIZGCHNB-MVHIGOERSA-N +BMDB00045 347.063084339 "Adenosine monophosphate" C10H14N5O7P UDMBCSSLTHHNCD-KQYNXXCUSA-N +BMDB00050 267.096753929 Adenosine C10H13N5O4 OIRDTQYFTABQOQ-KQYNXXCUSA-N +BMDB00053 286.193280076 Androstenedione C19H26O2 AEMFNILZOJDQLW-QAGGRKNESA-N +BMDB00058 329.052519653 "Cyclic AMP" C10H12N5O6P IVOMOUWHDPKRLL-KQYNXXCUSA-N +BMDB00060 102.031694058 "Acetoacetic acid" C4H6O3 WDJHALXBUFZDSR-UHFFFAOYSA-N +BMDB00062 161.105193351 L-Carnitine C7H15NO3 PHIQHXFUZVPYII-LURJTMIESA-N +BMDB00064 131.069476547 Creatine C4H9N3O2 CVSVTCORWBXHQV-UHFFFAOYSA-N +BMDB00067 386.354866094 Cholesterol C27H46O HVYWMOMLDIMFJA-FNOPAARDSA-N +BMDB00070 129.078978601 "Pipecolic acid" C6H11NO2 HXEACLLIILLPRG-UHFFFAOYSA-N +BMDB00072 174.016437924 "cis-Aconitic acid" C6H6O6 GTZCVFVGUGFEME-IWQZZHSRSA-N +BMDB00073 153.078978601 Dopamine C8H11NO2 VYFYYTLLBUKUHU-UHFFFAOYSA-N +BMDB00076 114.042927446 Dihydrouracil C4H6N2O2 OIVLITBTBDPEFK-UHFFFAOYSA-N +BMDB00077 288.20893014 Dehydroepiandrosterone C19H28O2 FMGSKLZLMKYGDP-INNQQZFDSA-N +BMDB00079 128.05857751 Dihydrothymine C5H8N2O2 NBAKTGXDIBVZOO-UHFFFAOYSA-N +BMDB00086 257.102823889 Glycerophosphocholine C8H20NO6P SUHOQUVVVLNYQR-QMMMGPOBSA-N +BMDB00087 45.057849229 Dimethylamine C2H7N ROSDSFDQCJNGOL-UHFFFAOYSA-N +BMDB00089 243.085520541 Cytidine C9H13N3O5 UHDGCWIWMRVCDJ-XVFCMESISA-N +BMDB00092 103.063328537 Dimethylglycine C4H9NO2 FFDGPVCHZBVARC-UHFFFAOYSA-N +BMDB00094 192.02700261 "Citric acid" C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N +BMDB00095 323.051850951 "Cytidine monophosphate" C9H14N3O8P IERHLVCPSMICTF-XVFCMESISA-N +BMDB00097 104.107539075 Choline C5H14NO OEYIOHPDSNJKLS-UHFFFAOYSA-N +BMDB00099 222.067427636 L-Cystathionine C7H14N2O4S ILRYLPWNYFXEMH-WHFBIAKZSA-N +BMDB00101 251.101839307 Deoxyadenosine C10H13N5O3 OLXZPDWKRNYJJZ-RRKCRQDMSA-N +BMDB00107 182.07903818 Galactitol C6H14O6 FBPFZTCFMRRESA-GUCUJZIJSA-N +BMDB00108 46.041864814 Ethanol C2H6O LFQSCWFLJHTTHZ-UHFFFAOYSA-N +BMDB00112 103.063328537 "Gamma-Aminobutyric acid" C4H9NO2 BTCSSZJGUNDROE-UHFFFAOYSA-N +BMDB00118 182.057908808 "Homovanillic acid" C9H10O4 QRMZSPFSDQBLIX-UHFFFAOYSA-N +BMDB00121 441.139681375 "Folic acid" C19H19N7O6 OVBPIULPVIDEAO-LBPRGKRZSA-N +BMDB00122 180.063388116 D-Glucose C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N +BMDB00123 75.032028409 Glycine C2H5NO2 DHMQDGOQFOQNFH-UHFFFAOYSA-N +BMDB00124 260.029718526 "Fructose 6-phosphate" C6H13O9P GSXOAOHZAIYLCY-HSUXUTPPSA-N +BMDB00126 172.013674532 "Glycerol 3-phosphate" C3H9O6P AWUCVROLDVIAJX-GSVOUGTGSA-N +BMDB00127 194.042652674 "D-Glucuronic acid" C6H10O7 AEMOLEFTQBMNLQ-WAXACMCWSA-N +BMDB00130 168.042258744 "Homogentisic acid" C8H8O4 IGMNYECMUMZDDF-UHFFFAOYSA-N +BMDB00131 92.047344122 Glycerol C3H8O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N +BMDB00132 151.049409807 Guanine C5H5N5O UYTPUPDQBNUYGX-UHFFFAOYSA-N +BMDB00133 283.091668551 Guanosine C10H13N5O5 NYHBQMYGNKIUIF-UUOKFMHZSA-N +BMDB00134 116.010958616 "Fumaric acid" C4H4O4 VZCYOOQTPOCHFL-OWOJBTEDSA-N +BMDB00138 465.309038113 "Glycocholic acid" C26H43NO6 RFDAIACWWDREDC-MZMBZMQMSA-N +BMDB00139 106.02660868 "Glyceric acid" C3H6O4 RBNPOMFGQQGHHO-UWTATZPHSA-N +BMDB00142 46.005479308 "Formic acid" CH2O2 BDAGIHXWWSANSR-UHFFFAOYSA-N +BMDB00143 180.063388116 D-Galactose C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N +BMDB00145 270.161979948 Estrone C18H22O2 DNXHEGUUPJUMQT-CBZIJGRNSA-N +BMDB00148 147.053157781 "L-Glutamic acid" C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N +BMDB00149 61.052763851 Ethanolamine C2H7NO HZAXFHJVJLSVMW-UHFFFAOYSA-N +BMDB00151 272.177630012 Estradiol C18H24O2 VOXZDWNPVJITMN-ZBRFXRBCSA-N +BMDB00153 288.172544634 Estriol C18H24O3 PROQIPRRNZUXQM-ZXXIGWHRSA-N +BMDB00156 134.021523302 "L-Malic acid" C4H6O5 BJEPYKJPYRNKOW-REOHCLBHSA-N +BMDB00157 136.03851077 Hypoxanthine C5H4N4O FDGQSTZJBFJUBT-UHFFFAOYSA-N +BMDB00158 181.073893223 L-Tyrosine C9H11NO3 OUYCCCASQSFEME-QMMMGPOBSA-N +BMDB00159 165.078978601 L-Phenylalanine C9H11NO2 COLNVLDHVKWLRT-QMMMGPOBSA-N +BMDB00161 89.047678473 L-Alanine C3H7NO2 QNAYBMKLOCPYGJ-REOHCLBHSA-N +BMDB00162 115.063328537 L-Proline C5H9NO2 ONIBWKKTOPOVIA-BYPYZUCNSA-N +BMDB00163 342.116211546 D-Maltose C12H22O11 GUBGYTABKSRVRQ-DKBJLJRDSA-N +BMDB00164 31.042199165 Methylamine CH5N BAVYZALUXZFZLV-UHFFFAOYSA-N +BMDB00167 119.058243159 L-Threonine C4H9NO3 AYFVYJQAPQTCCC-GBXIJSLDSA-N +BMDB00168 132.053492132 L-Asparagine C4H8N2O3 DCXYFEDJOCDNAF-REOHCLBHSA-N +BMDB00169 180.063388116 D-Mannose C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N +BMDB00172 131.094628665 L-Isoleucine C6H13NO2 AGPKZVBTJJNPAG-WHFBIAKZSA-N +BMDB00174 164.068473494 L-Fucose C6H12O5 SHZGCJCMOBCMKK-DHVFOXMCSA-N +BMDB00175 348.047099924 "Inosinic acid" C10H13N4O8P GRSZFWQUAKGDAV-KQYNXXCUSA-N +BMDB00177 155.069476547 L-Histidine C6H9N3O2 HNDVDQJCIGZPNO-YFKPBYRVSA-N +BMDB00182 146.105527702 L-Lysine C6H14N2O2 KDXKERNSBIXSRK-YFKPBYRVSA-N +BMDB00186 342.116211546 Alpha-Lactose C12H22O11 GUBGYTABKSRVRQ-XLOQQCSPSA-N +BMDB00187 105.042593095 L-Serine C3H7NO3 MTCFGRXMJLQNBG-REOHCLBHSA-N +BMDB00190 90.031694058 "L-Lactic acid" C3H6O3 JVTAAEKCZFNVCJ-REOHCLBHSA-N +BMDB00191 133.037507717 "L-Aspartic acid" C4H7NO4 CKLJMWTZIZZHCS-REOHCLBHSA-N +BMDB00192 240.023848262 L-Cystine C6H12N2O4S2 LEVWYRKDKASIDU-IMJSIDKUSA-N +BMDB00193 192.02700261 "Isocitric acid" C6H8O7 ODBLHEXUDAPZAU-UHFFFAOYSA-N +BMDB00195 268.080769514 Inosine C10H12N4O5 UGQMRVRMYYASKQ-KQYNXXCUSA-N +BMDB00201 203.115758037 L-Acetylcarnitine C9H17NO4 RDHQFKQIGNGIED-UHFFFAOYSA-N +BMDB00202 118.02660868 "Methylmalonic acid" C4H6O4 ZIYVHBGGAOATLY-UHFFFAOYSA-N +BMDB00206 188.116092388 N6-Acetyl-L-lysine C8H16N2O3 DTERQYGMUDWYAZ-ZETCQYMHSA-N +BMDB00207 282.255880332 "Oleic acid" C18H34O2 ZQPPMHVWECSIRJ-KTKRTIGZSA-N +BMDB00208 146.021523302 "Oxoglutaric acid" C5H6O5 KPGXRSRHYNQIFN-UHFFFAOYSA-N +BMDB00209 136.0524295 "Phenylacetic acid" C8H8O2 WLJVXDMOQOGPHL-UHFFFAOYSA-N +BMDB00210 219.110672659 "Pantothenic acid" C9H17NO5 GHOKWGTUZJEAQD-UHFFFAOYSA-N +BMDB00211 180.063388116 Myoinositol C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N +BMDB00212 221.089937217 N-Acetylgalactosamine C8H15NO6 OVRNDRQMDRJTHS-CBQIKETKSA-N +BMDB00213 260.029718526 "Myo-inositol 1-phosphate" C6H13O9P INAPMGSXUVUWAF-PTQMNWPWSA-N +BMDB00214 132.089877638 Ornithine C5H12N2O2 AHLPHDHHMVZTML-BYPYZUCNSA-N +BMDB00215 221.089937217 N-Acetyl-D-glucosamine C8H15NO6 OVRNDRQMDRJTHS-DMHSOCPYSA-N +BMDB00216 169.073893223 Norepinephrine C8H11NO3 SFLSHLFXELFNJZ-QMMMGPOBSA-N +BMDB00220 256.240230268 "Palmitic acid" C16H32O2 IPCSVZSSVZVIGE-UHFFFAOYSA-N +BMDB00223 132.005873238 "Oxalacetic acid" C4H4O5 KHPXUQMNIQBQEV-UHFFFAOYSA-N +BMDB00224 141.019094261 O-Phosphoethanolamine C2H8NO4P SUHOOTKUPISOBE-UHFFFAOYSA-N +BMDB00226 156.017106626 "Orotic acid" C5H4N2O4 PXQPEWDEAKTCGB-UHFFFAOYSA-N +BMDB00227 148.073558872 "Mevalonic acid" C6H12O4 KJTLQQUUPVSXIM-UHFFFAOYSA-N +BMDB00230 309.105981211 "N-Acetylneuraminic acid" C11H19NO9 SQVRNKJHWKZAKO-PFQGKNLYSA-N +BMDB00234 288.20893014 Testosterone C19H28O2 MUMGGOZAMZWBJJ-DYKIIFRCSA-N +BMDB00235 265.112306876 Thiamine C12H17N4OS JZRWCGZRTZMZEH-UHFFFAOYSA-N +BMDB00237 74.036779436 "Propionic acid" C3H6O2 XBDQKXXYIPTUBI-UHFFFAOYSA-N +BMDB00239 169.073893223 Pyridoxine C8H11NO3 LXNHXLLTXMVWPM-UHFFFAOYSA-N +BMDB00243 88.016043994 "Pyruvic acid" C3H4O3 LCTONWCANYUPML-UHFFFAOYSA-N +BMDB00244 376.138284392 Riboflavin C17H20N4O6 AUNGANRZJHBGPY-SCRDCRAPSA-N +BMDB00246 72.057514878 Tetrahydrofuran C4H8O WYURNTSHIVDZCO-UHFFFAOYSA-N +BMDB00251 125.014663785 Taurine C2H7NO3S XOAAWQZATWQOTB-UHFFFAOYSA-N +BMDB00252 299.282429433 Sphingosine C18H37NO2 WWUZIQQURGPMPG-CCEZHUSRSA-N +BMDB00254 118.02660868 "Succinic acid" C4H6O4 KDYFGRWQOYBRFD-UHFFFAOYSA-N +BMDB00258 342.116211546 Sucrose C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N +BMDB00262 126.042927446 Thymine C5H6N2O2 RWQNBRDOKXIBIV-UHFFFAOYSA-N +BMDB00263 167.982374404 "Phosphoenolpyruvic acid" C3H5O6P DTBNBXWJWCWCIK-UHFFFAOYSA-N +BMDB00265 650.790038137 Liothyronine C15H12I3NO4 AUYYCJSJGJYCDS-LBPRGKRZSA-N +BMDB00267 129.042593095 "Pyroglutamic acid" C5H7NO3 ODHCTXKNWHHXJC-VKHMYHEASA-N +BMDB00271 89.047678473 Sarcosine C3H7NO2 FSYKKLYZXJSNPZ-UHFFFAOYSA-N +BMDB00273 242.090271568 Thymidine C10H14N2O5 IQFYYKKMVGJFEH-XLPZGREQSA-N +BMDB00283 150.05282343 D-Ribose C5H10O5 HMFHBZSHGGEWLO-SOOFDHNKSA-N +BMDB00288 324.035866536 "Uridine 5'-monophosphate" C9H13N2O9P DJJCXFVJDGTHFX-XVFCMESISA-N +BMDB00289 168.028340014 "Uric acid" C5H4N4O3 LEHOTFFKMJEONL-UHFFFAOYSA-N +BMDB00292 152.033425392 Xanthine C5H4N4O2 LRFVTYWOQMYALW-UHFFFAOYSA-N +BMDB00294 60.03236276 Urea CH4N2O XSQUKJJJFZCRTK-UHFFFAOYSA-N +BMDB00296 244.069536126 Uridine C9H12N2O6 DRTQHJPVMGBUCF-XVFCMESISA-N +BMDB00300 112.027277382 Uracil C4H4N2O2 ISAKRJDGNUQOIC-UHFFFAOYSA-N +BMDB00305 286.229665582 "Vitamin A" C20H30O FPIPGXGPPPQFEQ-OVSJKPMPSA-N +BMDB00306 137.084063979 Tyramine C8H11NO DZGWFCGJZKJUFP-UHFFFAOYSA-N +BMDB00307 424.282489012 "1b-Hydroxycholic acid" C24H40O6 UYVVLXVBEQAATF-WAIVXGPNSA-N +BMDB00316 424.282489012 "2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid" C24H40O6 IMMADCCLTPCOKH-DLPNMVJGSA-N +BMDB00341 172.073558872 "2-Octenedioic acid" C8H12O4 BNTPVRGYUHJFHN-HWKANZROSA-N +BMDB00357 104.047344122 "3-Hydroxybutyric acid" C4H8O3 WHBMMWSBFZVSSR-UHFFFAOYSA-N +BMDB00362 185.99293909 "2-Phosphoglyceric acid" C3H7O7P GXIURPTVHJPJLF-UHFFFAOYSA-N +BMDB00378 245.162708229 2-Methylbutyroylcarnitine C12H23NO4 IHCPDBBYTYJYIL-UHFFFAOYSA-N +BMDB00379 206.042652674 "2-Methylcitric acid" C7H10O7 YNOXCRMFGMSKIJ-UHFFFAOYSA-N +BMDB00397 154.026608673 "2-Pyrocatechuic acid" C7H6O4 GLDQAMYCGOIJDV-UHFFFAOYSA-N +BMDB00429 272.177630012 17a-Estradiol C18H24O2 VOXZDWNPVJITMN-SFFUCWETSA-N +BMDB00430 416.329045274 "24,25-Dihydroxyvitamin D" C27H44O3 FCKJYANJHNLEEP-OIMXRAFZSA-N +BMDB00440 152.047344122 "3-Hydroxyphenylacetic acid" C8H8O3 FVMDYYGIDFPZAX-UHFFFAOYSA-N +BMDB00446 188.116092388 N-Alpha-ccetyllysine C8H16N2O3 VEYYWZRYIYDQJM-UHFFFAOYSA-N +BMDB00450 162.100442324 5-Hydroxylysine C6H14N2O3 YSMODUONRAFBET-UHNVWZDZSA-N +BMDB00452 103.063328537 "L-Alpha-aminobutyric acid" C4H9NO2 QWCKQJZIFLGMSD-VKHMYHEASA-N +BMDB00455 222.067427636 Allocystathionine C7H14N2O4S ILRYLPWNYFXEMH-ROLXFIACSA-N +BMDB00462 158.043990078 Allantoin C4H6N4O3 POJWUDADGALRAB-UHFFFAOYSA-N +BMDB00464 39.962591155 Calcium Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N +BMDB00469 142.037842068 5-Hydroxymethyluracil C5H6N2O3 JDBGXEHEIRGOBU-UHFFFAOYSA-N +BMDB00472 220.08479226 5-Hydroxy-L-tryptophan C11H12N2O3 LDCYZAJDBXYCGN-UHFFFAOYSA-N +BMDB00474 72.057514878 Butanone C4H8O ZWEHNKRNPOVVGH-UHFFFAOYSA-N +BMDB00479 169.085126611 3-Methylhistidine C7H11N3O2 JDHILDINMRGULE-LURJTMIESA-N +BMDB00482 144.115029756 "Caprylic acid" C8H16O2 WWZKQHOCKIZLMA-UHFFFAOYSA-N +BMDB00492 34.968852707 Chlorine Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M +BMDB00499 226.193280076 "5-Tetradecenoic acid" C14H26O2 AFGUVBVUFZMJMX-MDZDMXLPSA-N +BMDB00500 138.031694053 "4-Hydroxybenzoic acid" C7H6O3 FJKROLUGYXJWQN-UHFFFAOYSA-N +BMDB00510 161.068807845 "Aminoadipic acid" C6H11NO4 OYIFNHCXNCRBQI-UHFFFAOYSA-N +BMDB00511 172.146329884 "Capric acid" C10H20O2 GHVNFZFCNZKVNT-UHFFFAOYSA-N +BMDB00517 174.111675712 L-Arginine C6H14N4O2 ODKSFYDXXFIFQN-BYPYZUCNSA-N +BMDB00528 158.03275669 "4,5-Dihydroorotic acid" C5H6N2O4 UFIVEPVSAGBUSI-UHFFFAOYSA-N +BMDB00529 198.161979948 "5-Dodecenoic acid" C12H22O2 IJBFSOLHRKELLR-BQYQJAHWSA-N +BMDB00535 116.083729628 "Caproic acid" C6H12O2 FUZZWVXGSFPDMH-UHFFFAOYSA-N +BMDB00538 506.995745159 "Adenosine triphosphate" C10H16N5O13P3 ZKHQWZAMYRWXGA-KQYNXXCUSA-N +BMDB00547 23.985041898 Magnesium Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N +BMDB00548 554.454639716 TG(10:0/10:0/10:0)[iso] C33H62O6 LADGBHLMCUINGV-UHFFFAOYSA-N +BMDB00557 131.094628665 L-Alloisoleucine C6H13NO2 AGPKZVBTJJNPAG-UHNVWZDZSA-N +BMDB00561 536.438201803 B-Carotene C40H56 OENHQHLEOONYIE-JLTXGRSLSA-N +BMDB00562 113.058911861 Creatinine C4H7N3O DDRJAANPRJIHGJ-UHFFFAOYSA-N +BMDB00564 733.562155053 PC(16:0/16:0) C40H80NO8P KILNVBDSWZSGLL-KXQOOQHDSA-N +BMDB00568 152.068473494 D-Arabitol C5H12O5 HEBKCHPVOIAQTA-UHFFFAOYSA-N +BMDB00573 282.255880332 "Elaidic acid" C18H34O2 ZQPPMHVWECSIRJ-MDZDMXLPSA-N +BMDB00574 121.019749163 L-Cysteine C3H7NO2S XUJNEKJLAYXESH-REOHCLBHSA-N +BMDB00586 38.963706861 Potassium K NPYPAHLBTDXSSS-UHFFFAOYSA-N +BMDB00588 22.989769675 Sodium Na FKNQFGJONOIPTF-UHFFFAOYSA-N +BMDB00593 785.593455181 "PC(18:1(9Z)/18:1(9Z)) " C44H84NO8P SNKAWJBJQDLSFF-YEUCEMRASA-N +BMDB00598 31.97207069 Sulfide S UCKMPCXJQFINFW-UHFFFAOYSA-N +BMDB00599 51.940511904 Chromium Cr BFGKITSFLPAWGI-UHFFFAOYSA-N +BMDB00606 148.037173366 "D-2-Hydroxyglutaric acid" C5H8O5 HWXBTNAVRSUOJR-GSVOUGTGSA-N +BMDB00607 1354.5674 Cyanocobalamin C63H88CoN14O14P RMRCNWBMXRMIRW-JHUHWLDHSA-L +BMDB00608 58.933200194 Cobalt Co XLJKHNWPARRRJB-UHFFFAOYSA-N +BMDB00618 230.01915384 "D-Ribulose 5-phosphate" C5H11O8P KTVPXOYAKDPRHY-OWMBCFKOSA-N +BMDB00619 408.28757439 "Cholic acid" C24H40O5 BHQCQFFYRZLCQQ-IATNSQEUSA-N +BMDB00625 196.058302738 "Gluconic acid" C6H12O7 RGHNJXZEOKUKBD-SQOUGZDYSA-N +BMDB00628 288.20893014 Epitestosterone C19H28O2 MUMGGOZAMZWBJJ-KZYORJDKSA-N +BMDB00630 111.043261797 Cytosine C4H5N3O OPTASPLRGRRNAP-UHFFFAOYSA-N +BMDB00634 130.02660868 "Citraconic acid" C5H6O4 HNEGQIOMVPPMNR-IHWYPQMZSA-N +BMDB00638 200.177630012 "Dodecanoic acid" C12H24O2 POULHZVOKOAJMA-UHFFFAOYSA-N +BMDB00641 146.069142196 L-Glutamine C5H10N2O3 ZDXPYRJPNDTMRX-VKHMYHEASA-N +BMDB00645 260.029718526 "Galactose 1-phosphate" C6H13O9P HXXFSFRBOHSIMQ-FPRJBGLDSA-N +BMDB00646 150.05282343 L-Arabinose C5H10O5 SRBFZHDQGSBBOR-HWQSCIPKSA-N +BMDB00650 103.063328537 "D-Alpha-aminobutyric acid" C4H9NO2 QWCKQJZIFLGMSD-GSVOUGTGSA-N +BMDB00657 62.929601079 Copper Cu JPVYNHNXODAKFH-UHFFFAOYSA-N +BMDB00660 180.063388116 D-Fructose C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N +BMDB00662 18.998403205 Fluorine F KRHYYFGTRYWZRS-UHFFFAOYSA-M +BMDB00663 210.037567296 "Glucaric acid" C6H10O8 DSLZVSRJTYRBFB-LLEIAEIESA-N +BMDB00666 130.099379692 "Heptanoic acid" C7H14O2 MNWFXJYAOYHMED-UHFFFAOYSA-N +BMDB00669 152.047344122 "Ortho-Hydroxyphenylacetic acid" C8H8O3 CCVYRRGZDBSHFU-UHFFFAOYSA-N +BMDB00670 188.127325776 Homo-L-arginine C7H16N4O2 QUOGESRFPZDMMT-YFKPBYRVSA-N +BMDB00673 280.240230268 "Linoleic acid" C18H32O2 OYHQOLUKZRVURQ-HZJYTTRNSA-N +BMDB00675 253.80893684 Iodine I2 PNDPGZBMCMUPRI-UHFFFAOYSA-N +BMDB00684 208.08479226 L-Kynurenine C10H12N2O3 YGPSJZOEDVAXAB-QMMMGPOBSA-N +BMDB00687 131.094628665 L-Leucine C6H13NO2 ROHFNLRQFUQHCH-YFKPBYRVSA-N +BMDB00688 245.162708229 Isovalerylcarnitine C12H23NO4 IGQBPDJNUXPEMT-UHFFFAOYSA-N +BMDB00691 104.010958616 "Malonic acid" C3H4O4 OFOBLEOULBTSOW-UHFFFAOYSA-N +BMDB00692 55.934942133 Iron Fe CWYNVVGOOAEACU-UHFFFAOYSA-N +BMDB00696 149.051049291 L-Methionine C5H11NO2S FFEARJCKVFRZRR-BYPYZUCNSA-N +BMDB00704 179.044324429 Isoxanthopterin C6H5N5O2 GLKCOBIIZKYKFN-UHFFFAOYSA-N +BMDB00707 180.042258744 "4-Hydroxyphenylpyruvic acid" C9H8O4 ZHLWCBHWYUISFY-UHFFFAOYSA-N +BMDB00714 179.058243159 "Hippuric acid" C9H9NO3 QIAFMBKCNZACKA-UHFFFAOYSA-N +BMDB00716 129.078978601 "L-Pipecolic acid" C6H11NO2 HXEACLLIILLPRG-YFKPBYRVSA-N +BMDB00718 102.068079564 "Isovaleric acid" C5H10O2 GWYFCOCPABKNJV-UHFFFAOYSA-N +BMDB00719 119.058243159 L-Homoserine C4H9NO3 UKAUYVFTDYCKQA-VKHMYHEASA-N +BMDB00721 172.08479226 Glycylproline C7H12N2O3 KZNQNBZMBZJQJO-UHFFFAOYSA-N +BMDB00725 131.058243159 Hydroxyproline C5H9NO3 PMMYEEVYMWASQN-DMTCNVIQSA-N +BMDB00736 231.147058165 Isobutyryl-L-carnitine C11H21NO4 LRCNOZRCYBNMEP-UHFFFAOYSA-N +BMDB00742 135.035399227 Homocysteine C4H9NO2S FFFHZYDWPBMWHY-UHFFFAOYSA-N +BMDB00744 134.021523302 "Malic acid" C4H6O5 BJEPYKJPYRNKOW-UHFFFAOYSA-N +BMDB00750 168.042258744 "3-Hydroxymandelic acid" C8H8O4 OLSDAJRAVOVKLG-UHFFFAOYSA-N +BMDB00755 182.057908808 "Hydroxyphenyllactic acid" C9H10O4 JVGVDSSUAVXRDY-UHFFFAOYSA-N +BMDB00759 188.116092388 Glycyl-L-leucine C8H16N2O3 DKEXFJVMVGETOO-LURJTMIESA-N +BMDB00765 182.07903818 Mannitol C6H14O6 FBPFZTCFMRRESA-KVTDHHQDSA-N +BMDB00767 244.069536126 Pseudouridine C9H12N2O6 PTJWIQPHWPFNBW-GBNDHIKLSA-N +BMDB00772 298.28718046 "Nonadecanoic acid" C19H38O2 ISYWECDDZWTKFF-UHFFFAOYSA-N +BMDB00791 287.209658421 L-Octanoylcarnitine C15H29NO4 CXTATJFJDMJMIY-CYBMUJFWSA-N +BMDB00801 312.302830524 "Phytanic acid" C20H40O2 RLCKHJSFHOZMDR-UHFFFAOYSA-N +BMDB00806 228.20893014 "Myristic acid" C14H28O2 TUNFSRHWOTWDNC-UHFFFAOYSA-N +BMDB00807 185.99293909 "3-Phosphoglyceric acid" C3H7O7P OSJPPGNTCRNQQC-UHFFFAOYSA-N +BMDB00820 60.057514878 "Propyl alcohol" C3H8O BDERNNFJNOPAEC-UHFFFAOYSA-N +BMDB00821 193.073893223 Phenylacetylglycine C10H11NO3 UTYVDVLMYQPLQB-UHFFFAOYSA-N +BMDB00824 217.131408101 Propionylcarnitine C10H19NO4 UFAHZIUFPNSHSL-UHFFFAOYSA-N +BMDB00825 633.211628071 3'-Sialyllactose C23H39NO19 OIZGSVFYNBZVIK-FHHHURIISA-N +BMDB00826 242.224580204 "Pentadecanoic acid" C15H30O2 WQEPLUUGTLDZJY-UHFFFAOYSA-N +BMDB00827 284.271530396 "Stearic acid" C18H36O2 QIQXTHQIDYTFRH-UHFFFAOYSA-N +BMDB00828 176.043321376 "Ureidosuccinic acid" C5H8N2O5 HLKXYZVTANABHZ-REOHCLBHSA-N +BMDB00840 195.053157781 "Salicyluric acid" C9H9NO4 ONJSZLXSECQROL-UHFFFAOYSA-N +BMDB00847 158.13067982 "Pelargonic acid" C9H18O2 FBUKVWPVBMHYJY-UHFFFAOYSA-N +BMDB00855 255.0980966 "Nicotinamide riboside" C11H15N2O5 JLEBZPBDRKPWTD-TURQNECASA-O +BMDB00863 60.057514878 "Isopropyl alcohol" C3H8O KFZMGEQAYNKOFK-UHFFFAOYSA-N +BMDB00870 111.079647303 Histamine C5H9N3 NTYJJOPFIAHURM-UHFFFAOYSA-N +BMDB00876 384.33921603 "Vitamin D3" C27H44O QYSXJUFSXHHAJI-QWSSABAFSA-N +BMDB00883 117.078978601 L-Valine C5H11NO2 KZSNJWFQEVHDMF-BYPYZUCNSA-N +BMDB00884 258.08518619 Ribothymidine C10H14N2O6 DWRXFEITVBNRMK-JXOAFFINSA-N +BMDB00892 102.068079564 "Valeric acid" C5H10O2 NQPDZGIKBAWPEJ-UHFFFAOYSA-N +BMDB00900 396.33921603 Ergocalciferol C28H44O MECHNRXZTMCUDQ-RKHKHRCZSA-N +BMDB00904 175.095691297 Citrulline C6H13N3O3 RHGKLRLOHDJJDR-BYPYZUCNSA-N +BMDB00906 59.073499293 Trimethylamine C3H9N GETQZCLCWQTVFV-UHFFFAOYSA-N +BMDB00910 214.193280076 "Tridecanoic acid" C13H26O2 SZHOJFHSIKHZHA-UHFFFAOYSA-N +BMDB00925 75.068413915 "Trimethylamine N-oxide" C3H9NO UYPYRKYUKCHHIB-UHFFFAOYSA-N +BMDB00929 204.089877638 L-Tryptophan C11H12N2O2 QIVBCDIJIAJPQS-VIFPVBQESA-N +BMDB00930 148.0524295 "trans-Cinnamic acid" C9H8O2 WBYWAXJHAXSJNI-VOTSOKGWSA-N +BMDB00939 384.12158847 S-Adenosylhomocysteine C14H20N6O5S ZJUKTBDSGOFHSH-WFMPWKQPSA-N +BMDB00943 136.037173366 "Threonic acid" C4H8O5 JPIJQSOTBSSVTP-GBXIJSLDSA-N +BMDB00944 340.334130652 "Behenic acid" C22H44O2 UKMSUNONTOPOIO-UHFFFAOYSA-N +BMDB00947 186.161979948 "Undecanoic acid" C11H22O2 ZDPHROOEEOARMN-UHFFFAOYSA-N +BMDB00957 110.036779436 Pyrocatechol C6H6O2 YCIMNLLNPGFGHC-UHFFFAOYSA-N +BMDB00990 44.02621475 Acetaldehyde C2H4O IKHGUXGNUITLKF-UHFFFAOYSA-N +BMDB00991 159.125928793 "DL-2-Aminooctanoic acid" C8H17NO2 AKVBCGQVQXPRLD-UHFFFAOYSA-N +BMDB00996 153.009578407 3-Sulfinoalanine C3H7NO4S WVMUCBHSEHBMKA-REOHCLBHSA-N +BMDB01015 177.045963913 N-Formyl-L-methionine C6H11NO3S PYUSHNKNPOHWEZ-RXMQYKEDSA-N +BMDB01043 304.240230268 "Arachidonic acid" C20H32O2 YZXBAPSDXZZRGB-DOFZRALJSA-N +BMDB01051 90.031694058 Glyceraldehyde C3H6O3 MNQZXJOMYWMBOU-UHFFFAOYSA-N +BMDB01058 324.001134314 "Fructose 1,6-bisphosphate" C6H14O11P2 WSMBXSQDFPTODV-JGWLITMVSA-N +BMDB01065 137.084063979 2-Hydroxyphenethylamine C8H11NO ULSIYEODSMZIPX-UHFFFAOYSA-N +BMDB01076 260.029718526 "Fructose 1-phosphate" C6H13O9P RHKKZBWRNHGJEZ-ARQDHWQXSA-N +BMDB01080 87.068413915 4-Aminobutyraldehyde C4H9NO DZQLQEYLEYWJIB-UHFFFAOYSA-N +BMDB01081 674.238177172 (N-acetylneuraminosyl(a2-6)lactosamine) C25H42N2O19 RPSBVJXBTXEJJG-LURNZOHQSA-N +BMDB01095 589.082238179 GDP-L-fucose C16H25N5O15P2 LQEBEXMHBLQMDB-QIXZNPMTSA-N +BMDB01106 73.052763851 3-Aminopropionaldehyde C3H7NO PCXDJQZLDDHMGX-UHFFFAOYSA-N +BMDB01129 221.089937217 N-Acetylmannosamine C8H15NO6 OVRNDRQMDRJTHS-ZTVVOAFPSA-N +BMDB01147 119.021857653 "Aminomalonic acid" C3H5NO4 JINBYESILADKFW-UHFFFAOYSA-N +BMDB01160 354.349780716 "Tricosanoic acid" C23H46O2 XEZVDURJDFGERA-UHFFFAOYSA-N +BMDB01169 109.052763851 4-Aminophenol C6H7NO PLIKAWJENQZMHA-UHFFFAOYSA-N +BMDB01173 297.089560061 5'-Methylthioadenosine C11H15N5O3S WUUGFSXJNOTRMR-IOSLPCCCSA-N +BMDB01220 352.224974134 "Prostaglandin E2" C20H32O5 XEYBRNLFEZDVAW-ARSRFYASSA-N +BMDB01232 139.026943031 4-Nitrophenol C6H5NO3 BTJIUGUIPKRLHP-UHFFFAOYSA-N +BMDB01238 218.105527702 N-Acetylserotonin C12H14N2O2 MVAWJSIDNICKHF-UHFFFAOYSA-N +BMDB01247 26.981538441 Aluminum Al REDXJYDRNCIFBQ-UHFFFAOYSA-N +BMDB01254 259.045702941 "Glucosamine 6-phosphate" C6H14NO8P XHMJOUIAFHJHBW-UKFBFLRUSA-N +BMDB01256 202.215746852 Spermine C10H26N4 PFNFFQXMRSDOHW-UHFFFAOYSA-N +BMDB01257 145.157897623 Spermidine C7H19N3 ATHGHQPFGPMSJY-UHFFFAOYSA-N +BMDB01262 504.169034976 Maltotriose C18H32O16 FYGDTMLNYKFZSV-DZOUCCHMSA-N +BMDB01263 145.073893223 Allysine C6H11NO3 GFXYTQPNNXGICT-UHFFFAOYSA-N +BMDB01264 174.016437924 "Dehydroascorbic acid" C6H6O6 SBJKKFFYIZUCET-DUZGATOHSA-N +BMDB01296 666.221858406 Maltotetraose C24H42O21 LUEWUZLMQUOBSB-AYQJAVFRSA-N +BMDB01302 97.905407846 Molybdenum Mo MMVYPOCJESWGTC-UHFFFAOYSA-N +BMDB01303 63.929146578 Zinc Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N +BMDB01315 33.997236608 Phosphorus H3P XYFCBTPGUUZFHI-UHFFFAOYSA-N +BMDB01316 276.024633148 "6-Phosphogluconic acid" C6H13O10P BIRSGZKFKXLSJQ-SQOUGZDYSA-N +BMDB01318 100.088815006 4-Methylpentanal C6H12O JGEGJYXHCFUMJF-UHFFFAOYSA-N +BMDB01327 84.911789341 Rubidium Rb NCCSSGKUIKYAJD-UHFFFAOYSA-N +BMDB01333 54.938049636 Manganese Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N +BMDB01341 427.029414749 ADP C10H15N5O10P2 XTWYTFMLZFPYCI-KQYNXXCUSA-N +BMDB01349 79.916521828 Selenium Se HMUBNCUQSSTAIB-UHFFFAOYSA-N +BMDB01366 120.043596148 Purine C5H4N4 KDCGOANMDULRCW-UHFFFAOYSA-N +BMDB01370 190.095356946 "Diaminopimelic acid" C7H14N2O4 GMKMEZVLHJARHF-WHFBIAKZSA-N +BMDB01388 278.224580206 "Alpha-Linolenic acid" C18H30O2 DTOSIQBPPRVQHS-IUQGRGSQSA-N +BMDB01389 232.121177766 Melatonin C13H16N2O2 DRLFMBDRBRZALE-UHFFFAOYSA-N +BMDB01392 137.047678473 "p-Aminobenzoic acid" C7H7NO2 ALYNCZNDIQEVRV-UHFFFAOYSA-N +BMDB01397 363.057998961 "Guanosine monophosphate" C10H14N5O8P RQFCJASXJCIDSX-UUOKFMHZSA-N +BMDB01401 260.029718526 "Glucose 6-phosphate" C6H13O9P NBSCHQHZLSJFNQ-GASJEMHNSA-N +BMDB01406 122.048012824 Niacinamide C6H6N2O DFPAKSUCGFBDDF-UHFFFAOYSA-N +BMDB01414 88.100048394 Putrescine C4H12N2 KIDHWZJUCRJVML-UHFFFAOYSA-N +BMDB01425 350.118794504 "Estrone sulfate" C18H22O5S JKKFKPJIXZFSSB-CBZIJGRNSA-N +BMDB01429 94.95342 Phosphate O4P NBIIXXVUZAFLBC-UHFFFAOYSA-K +BMDB01431 168.089877638 Pyridoxamine C8H12N2O2 NHZMQXZHNVQTQA-UHFFFAOYSA-N +BMDB01451 206.043521072 "Lipoic acid" C8H14O2S2 AGBQKNBQESQNJD-SSDOTTSWSA-N +BMDB01475 89.904703679 Zirconium Zr GBNDTYKAOXLLID-UHFFFAOYSA-N +BMDB01478 71.949056008 Gallium GaH3 PHMDYZQXPPOZDG-UHFFFAOYSA-N +BMDB01488 123.032028409 "Nicotinic acid" C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N +BMDB01491 247.024573569 "Pyridoxal 5'-phosphate" C8H10NO6P NGVDGCNFYWLIFO-UHFFFAOYSA-N +BMDB01492 416.36543078 Gamma-Tocopherol C28H48O2 QUEDXNHFTDJVIY-UHFFFAOYSA-N +BMDB01511 211.035806957 Phosphocreatine C4H10N3O5P DRBBFCLWYRJSJZ-UHFFFAOYSA-N +BMDB01514 179.079372531 Glucosamine C6H13NO5 MSWZFWKMSRAUBD-HOWGCPQDSA-N +BMDB01518 278.151809192 Alpha-CEHC C16H22O4 AXODOWFEFKOVSH-UHFFFAOYSA-N +BMDB01539 202.14297584 Dimethyl-L-arginine C8H18N4O2 YDGMGEXADBMOMJ-LURJTMIESA-N +BMDB01545 167.058243159 Pyridoxal C8H9NO3 RADKZDMFGJYCBB-UHFFFAOYSA-N +BMDB01548 230.01915384 "D-Ribose 5-phosphate" C5H11O8P KTVPXOYAKDPRHY-SOOFDHNKSA-N +BMDB01552 145.037507717 "2-Keto-glutaramic acid" C5H7NO4 COJBGNAUUSNXHX-UHFFFAOYSA-N +BMDB01553 148.019414812 "2-Oxo-4-methylthiobutanoic acid" C5H8O3S SXFSQZDSUWACKX-UHFFFAOYSA-N +BMDB01555 248.056208048 "Pyridoxamine 5'-phosphate" C8H13N2O5P ZMJGSOSNSPKHNH-UHFFFAOYSA-N +BMDB01563 297.107318615 1-Methylguanosine C11H15N5O5 UTAIYTHAJQNQDW-KQYNXXCUSA-N +BMDB01565 184.073869485 Phosphorylcholine C5H15NO4P YHHSONZFOIEMCP-UHFFFAOYSA-O +BMDB01586 260.029718526 "Glucose 1-phosphate" C6H13O9P HXXFSFRBOHSIMQ-GASJEMHNSA-N +BMDB01645 131.094628665 L-Norleucine C6H13NO2 LRQKBLKVPFOOQJ-YFKPBYRVSA-N +BMDB01659 58.041864814 Acetone C3H6O CSCPPACGZOOCGX-UHFFFAOYSA-N +BMDB01830 314.224580204 Progesterone C21H30O2 RJKFOVLPORLFTN-LEKSSAKUSA-N +BMDB01854 129.906222753 Tellurium Te LHBANKJAFPUZQV-UHFFFAOYSA-N +BMDB01858 108.057514878 p-Cresol C7H8O IWDCLRJOBJJRNH-UHFFFAOYSA-N +BMDB01859 151.063328537 Acetaminophen C8H9NO2 RZVAJINKPMORJF-UHFFFAOYSA-N +BMDB01873 88.0524295 "Isobutyric acid" C4H8O2 KQNPFQTWMSNSAP-UHFFFAOYSA-N +BMDB01875 32.02621475 Methanol CH4O OKKJLVBELUTLKV-UHFFFAOYSA-N +BMDB01882 90.031694058 Dihydroxyacetone C3H6O3 RXKJFZQQPQGTFL-UHFFFAOYSA-N +BMDB01890 163.030313849 Acetylcysteine C5H9NO3S PWKSKIMOESPYIA-BYPYZUCNSA-N +BMDB01891 137.047678473 "m-Aminobenzoic acid" C7H7NO2 XFDUHJPVQKIXHO-UHFFFAOYSA-N +BMDB01893 430.381080844 Alpha-Tocopherol C29H50O2 GVJHHUAWPYXKBD-IEOSBIPESA-N +BMDB01903 416.329045274 Calcitriol C27H44O3 GMRQFYUYWCNGIN-NKMMMXOESA-N +BMDB01906 103.063328537 "2-Aminoisobutyric acid" C4H9NO2 FUOOLUPWFVMBKG-UHFFFAOYSA-N +BMDB01960 119.900002251 Tin Sn SYRHIZPPCHMRIT-UHFFFAOYSA-N +BMDB01964 180.042258744 "Caffeic acid" C9H8O4 QAIPRVGONGVQAS-RQOWECAXSA-N +BMDB01966 47.947947053 Titanium Ti LCKIEQZJEYYRIY-UHFFFAOYSA-N +BMDB01976 330.255880335 "Docosapentaenoic acid" C22H34O2 YEKFYCQGYMVFKR-MBFZXKRTSA-N +BMDB01999 302.224580204 "Eicosapentaenoic acid" C20H30O2 JAZBEHYOTPTENJ-JLNKQSITSA-N +BMDB02000 226.193280076 "Myristoleic acid" C14H26O2 YWWVWXASSLXJHU-WAYWQWQTSA-N +BMDB02003 368.36543078 "Tetracosanoic acid" C24H48O2 QZZGJDVWLFXDLK-UHFFFAOYSA-N +BMDB02005 165.045963913 "Methionine sulfoxide" C5H11NO3S QEFRNWWLZKMPFJ-UHFFFAOYSA-N +BMDB02013 231.147058165 Butyrylcarnitine C11H21NO4 QWYFHHGCZUCMBN-UHFFFAOYSA-N +BMDB02014 369.287908741 cis-5-Tetradecenoylcarnitine C21H39NO4 NNCBVXBBLABOCB-SEYXRHQNSA-N +BMDB02024 126.042927446 "Imidazoleacetic acid" C5H6N2O2 PRJKNHOMHKJCEJ-UHFFFAOYSA-N +BMDB02035 164.047344122 "4-Hydroxycinnamic acid" C9H8O3 NGSWKAQJJWESNS-ZZXKWVIFSA-N +BMDB02040 178.062994186 "4-Methoxycinnamic acid" C10H10O3 AFDXODALSZRGIH-QPJJXVBHSA-N +BMDB02048 108.057514878 m-Cresol C7H8O RLSSMJSEOOYNOY-UHFFFAOYSA-N +BMDB02055 108.057514878 o-Cresol C7H8O QWVGKYWNOKOFNN-UHFFFAOYSA-N +BMDB02064 130.11061308 N-Acetylputrescine C6H14N2O KLZGKIDSEJWEDW-UHFFFAOYSA-N +BMDB02068 338.318480592 "Erucic acid" C22H42O2 DPUOLQHDNGRHBS-MDZDMXLPSA-N +BMDB02092 130.02660868 "Itaconic acid" C5H6O4 LVHBHZANLOWSRM-UHFFFAOYSA-N +BMDB02111 18.010564686 Water H2O XLYOFNOQVPJJNP-UHFFFAOYSA-N +BMDB02142 97.976895096 "Phosphoric acid" H3O4P NBIIXXVUZAFLBC-UHFFFAOYSA-N +BMDB02151 78.013935504 "Dimethyl sulfoxide" C2H6OS IAZDPXIOMUYVGZ-UHFFFAOYSA-N +BMDB02174 1328.564331295 Cobalamin C62H88CoN13O14P NSLAUEAQDBERRV-UHFFFAOYSA-L +BMDB02177 304.24023027 "8,11,14,17-Eicosatetraenoic acid" C20H32O2 HQPCSDADVLFHHO-GFRMADBLSA-N +BMDB02183 328.240230268 "Docosahexaenoic acid" C22H32O2 MBMBGCFOFBJSGT-KUBAVDMBSA-N +BMDB02196 208.980383241 Bismuth Bi JDIBGQFKXXXXPN-UHFFFAOYSA-N +BMDB02209 242.094294314 Equol C15H14O3 ADFCQWZHKCXPAJ-GFCCVEGCSA-N +BMDB02210 151.063328537 2-Phenylglycine C8H9NO2 ZGUNAGUHMKGQNY-UHFFFAOYSA-N +BMDB02212 312.302830524 "Arachidic acid" C20H40O2 VKOBVWXKNCXXDE-UHFFFAOYSA-N +BMDB02226 332.271530399 "Adrenic acid" C22H36O2 TWSWSIQAPQLDBP-CGRWFSSPSA-N +BMDB02231 310.28718046 "Eicosenoic acid" C20H38O2 BITHHVVYSMSWAG-KTKRTIGZSA-N +BMDB02250 343.272258677 Dodecanoylcarnitine C19H37NO4 FUJLYHJROOYKRA-QGZVFWFLSA-N +BMDB02259 270.255880332 "Heptadecanoic acid" C17H34O2 KEMQGTRYUADPNZ-UHFFFAOYSA-N +BMDB02285 161.047678473 "2-Indolecarboxylic acid" C9H7NO2 HCUARRIEZVDMPT-UHFFFAOYSA-N +BMDB02287 117.024834541 "Homocysteine thiolactone" C4H7NOS KIWQWJKWBHZMDT-UHFFFAOYSA-N +BMDB02290 74.921596417 Arsenic As LULLIKNODDLMDQ-UHFFFAOYSA-N +BMDB02329 89.995308552 "Oxalic acid" C2H2O4 MUBZPKHOEPUJKR-UHFFFAOYSA-N +BMDB02338 284.068473486 "Biochanin A" C16H12O5 WUADCCWRTIWANL-UHFFFAOYSA-N +BMDB02339 234.100442324 5-Methoxytryptophan C12H14N2O3 KVNPSKDDJARYKK-JTQLQIEISA-N +BMDB02345 326.318480588 "Heneicosanoic acid" C21H42O2 CKDDRHZIAZRDBW-UHFFFAOYSA-N +BMDB02386 11.009305466 Boron B FRWDHMWMHYXNLW-UHFFFAOYSA-N +BMDB02393 147.053157781 "N-Methyl-D-aspartic acid" C5H9NO4 HOKKHZGPKSLGJE-GSVOUGTGSA-N +BMDB02457 57.935347922 Nickel Ni VEQPNABPJHWNSG-UHFFFAOYSA-N +BMDB02503 50.943963675 Vanadium V KOKKJWHERHSKEB-UHFFFAOYSA-N +BMDB02511 238.084123558 "3,4,5-Trimethoxycinnamic acid" C12H14O5 YTFVRYKNXDADBI-SNAWJCMRSA-N +BMDB02520 172.013674532 "Beta-Glycerophosphoric acid" C3H9O6P DHCLVCXQIBBOPH-UHFFFAOYSA-N +BMDB02545 194.042652674 "Galacturonic acid" C6H10O7 IAJILQKETJEXLJ-RSJOWCBRSA-N +BMDB02670 272.068473494 Naringenin C15H12O5 FTVWIRXFELQLPI-ZDUSSCGKSA-N +BMDB02789 568.428031043 Zeaxanthin C40H56O2 JKQXZKUSFCKOGQ-QAYBQHTQSA-N +BMDB02815 521.348139535 LysoPC(18:1(9Z)) C26H52NO7P YAMUFBLWGFFICM-PTGWMXDISA-N +BMDB02894 125.058911861 5-Methylcytosine C5H7N3O LRSASMSXMSNRBT-UHFFFAOYSA-N +BMDB02902 402.349780716 Delta-Tocopherol C27H46O2 GZIFEOYASATJEH-VHFRWLAGSA-N +BMDB02923 342.116211546 Isomaltose C12H22O11 DLRVVLDZNNYCBX-RTPHMHGBSA-N +BMDB02925 306.255880332 "8,11,14-Eicosatrienoic acid" C20H34O2 HOBAELRKJCKHQD-QNEBEIHSSA-N +BMDB03011 147.053157781 O-Acetylserine C5H9NO4 VZXPDPZARILFQX-BYPYZUCNSA-N +BMDB03012 93.057849229 Aniline C6H7N PAYRUJLWNCNPSJ-UHFFFAOYSA-N +BMDB03073 278.224580204 "Gamma-Linolenic acid" C18H30O2 VZCCETWTMQHEPK-QNEBEIHSSA-N +BMDB03217 270.052823422 Genistein C15H10O5 TZBJGXHYKVUXJN-UHFFFAOYSA-N +BMDB03227 48.003370818 Methanethiol CH4S LSDPWZHWYPCBBB-UHFFFAOYSA-N +BMDB03229 254.224580204 "Palmitoleic acid" C16H30O2 SECPZKHBENQXJG-FPLPWBNLSA-N +BMDB03231 282.255880335 "Vaccenic acid" C18H34O2 UWHZIFQPPBDJPM-BQYQJAHWSA-N +BMDB03233 568.428031036 Lutein C40H56O2 KBPHJBAIARWVSC-RTIVXWJOSA-N +BMDB03276 33.987720754 "Hydrogen sulfide" H2S RWSOTUBLDIXVET-UHFFFAOYSA-N +BMDB03312 254.057908802 Daidzein C15H10O4 ZQSIJRDFPHDXIC-UHFFFAOYSA-N +BMDB03331 281.112403993 1-Methyladenosine C11H15N5O4 GFYLSDSUCHVORB-IOSLPCCCSA-N +BMDB03338 33.021463723 Hydroxylamine H3NO AVXURJPOCDRRFD-UHFFFAOYSA-N +BMDB03339 147.053157781 "D-Glutamic acid" C5H9NO4 WHUUTDBJXJRKMK-GSVOUGTGSA-N +BMDB03349 158.03275669 "L-Dihydroorotic acid" C5H6N2O4 UFIVEPVSAGBUSI-REOHCLBHSA-N +BMDB03355 117.078978601 "5-Aminopentanoic acid" C5H11NO2 JJMDCOVWQOJGCB-UHFFFAOYSA-N +BMDB03357 174.100442324 N-Acetylornithine C7H14N2O3 JRLGPAXAGHMNOL-LURJTMIESA-N +BMDB03361 80.037448138 Pyrimidine C4H4N2 CZPWVGJYEJSRLH-UHFFFAOYSA-N +BMDB03371 150.05282343 L-Ribulose C5H10O5 LQXVFWRQNMEDEE-OVEKKEMJSA-N +BMDB03375 136.125200512 (-)-Limonene C10H16 XMGQYMWWDOXHJM-SNVBAGLBSA-N +BMDB03378 29.997988627 "Nitric oxide" NO MWUXSHHQAYIFBG-UHFFFAOYSA-N +BMDB03402 194.042652674 Pectin C6H10O7 AEMOLEFTQBMNLQ-DTEWXJGMSA-N +BMDB03407 86.036779436 Diacetyl C4H6O2 QSJXEFYPDANLFS-UHFFFAOYSA-N +BMDB03429 1328.564326 Cob(I)alamin C62H88CoN13O14P SJBNFITWNDPBKE-FWTZXHJXSA-N +BMDB03431 141.090211989 L-Histidinol C6H11N3O ZQISRDCJNBUVMM-YFKPBYRVSA-N +BMDB03449 180.063388116 Beta-D-Galactose C6H12O6 WQZGKKKJIJFFOK-FPRJBGLDSA-N +BMDB03459 160.08479226 D-Alanyl-D-alanine C6H12N2O3 DEFJQIDDEAULHB-QWWZWVQMSA-N +BMDB03543 72.057514878 Butanal C4H8O ZTQSAGDEMFDKMZ-UHFFFAOYSA-N +BMDB03550 400.334130652 Calcidiol C27H44O2 JWUBBDSIWDLEOM-DTOXIADCSA-N +BMDB03555 450.349780716 "Vitamin K1" C31H46O2 MBWXNTAXLNYFJB-LKUDQCMESA-N +BMDB03625 201.970625604 Mercury Hg BQPIGGFYSBELGY-UHFFFAOYSA-N +BMDB03638 113.903358121 Cadmium Cd WLZRMCYVCSSEQC-UHFFFAOYSA-N +BMDB03642 87.905614339 Strontium Sr PWYYWQHXAPXYMF-UHFFFAOYSA-N +BMDB03671 114.10446507 2-Heptanone C7H14O CATSNJVOTSVZJV-UHFFFAOYSA-N +BMDB03681 145.073893223 "4-Acetamidobutanoic acid" C6H11NO3 UZTFMUBKZQVKLK-UHFFFAOYSA-N +BMDB03797 280.240230268 "Bovinic acid" C18H32O2 JBYXPOFIGCOSSB-GOJKSUSPSA-N +BMDB03911 103.063328537 "3-Aminoisobutanoic acid" C4H9NO2 QCHPKSFMDHPSNR-UHFFFAOYSA-N +BMDB04095 190.11061308 5-Methoxytryptamine C11H14N2O JTEJPPKMYBDEMY-UHFFFAOYSA-N +BMDB04096 205.073893223 5-Methoxyindoleacetate C11H11NO3 COCNDHOPIHDTHK-UHFFFAOYSA-N +BMDB04118 120.903818044 Antimony Sb FAWGZAFXDJGWBB-UHFFFAOYSA-N +BMDB04142 137.905241273 Barium Ba XDFCIPNJCBUZJN-UHFFFAOYSA-N +BMDB04215 244.073558866 3,3',4'5-Tetrahydroxystilbene C14H12O4 CDRPUGZCRXZLFL-OWOJBTEDSA-N +BMDB04327 74.073164942 1-Butanol C4H10O LRHPLDYGYMQRHN-UHFFFAOYSA-N +BMDB04370 174.115698458 N-Methyltryptamine C11H14N2 NCIKQJBVUNUXLW-UHFFFAOYSA-N +BMDB04437 105.078978601 Diethanolamine C4H11NO2 ZBCBWPMODOFKDW-UHFFFAOYSA-N +BMDB04483 446.194067936 "Estrone glucuronide" C24H30O8 FJAZVHYPASAQKM-JBAURARKSA-N +BMDB04628 207.97663585 Lead Pb RVPVRDXYQKGNMQ-UHFFFAOYSA-N +BMDB04983 94.008850126 "Dimethyl sulfone" C2H6O2S HHVIBTZHLRERCL-UHFFFAOYSA-N +BMDB05047 280.240230268 "9E,11E-Octadecadienoic acid" C18H32O2 JBYXPOFIGCOSSB-XBLVEGMJSA-N +BMDB05048 280.240230268 "10E,12Z-Octadecadienoic acid" C18H32O2 JBYXPOFIGCOSSB-UQGDGPGGSA-N +BMDB05056 302.151809192 Enterodiol C18H22O4 DWONJCNDULPHLV-HOTGVXAUSA-N +BMDB05060 308.271530396 "Eicosadienoic acid" C20H36O2 XSXIVVZCUAHUJO-HZJYTTRNSA-N +BMDB05066 371.303558805 Tetradecanoylcarnitine C21H41NO4 PSHXNVGSVNEJBD-LJQANCHMSA-N +BMDB05356 806.736340868 TG(16:0/16:0/16:0)[iso] C51H98O6 PVNIQBQSYATKKL-UHFFFAOYSA-N +BMDB05357 834.767640996 TG(16:0/16:0/18:0)[iso3] C53H102O6 DQKMNCLZNGAXNX-VCZQVZGSSA-N +BMDB05358 862.798941124 TG(16:0/16:0/20:0)[iso3] C55H106O6 YDZWEVBRICYXOV-OIVUAWODSA-N +BMDB05359 804.720690804 TG(16:0/16:0/16:1(9Z))[iso3] C51H96O6 FEKLSEFRUGWUOS-DLOIZKPKSA-N +BMDB05360 832.751990932 TG(16:0/16:0/18:1(9Z))[iso3] C53H100O6 YHMDGPZOSGBQRH-YYSBDVFPSA-N +BMDB05361 860.78329106 TG(16:0/16:0/20:1(11Z))[iso3] C55H104O6 XRTUKMLVVRMOLM-PLYDGSRGSA-N +BMDB05362 830.736340868 TG(16:0/16:0/18:2(9Z,12Z))[iso3] C53H98O6 MTWYSKGJIDFSRC-IICCMCGVSA-N +BMDB05363 854.736340868 TG(16:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso3] C55H98O6 FTMDHBKIGZUTJX-MRKXGPBNSA-N +BMDB05365 862.798941124 TG(16:0/18:0/18:0)[iso3] C55H106O6 SDNYRTVJOFMYIW-UHFFFAOYSA-N +BMDB05366 890.830241252 TG(16:0/18:0/20:0)[iso6] C57H110O6 DHDAMQPBPJWJEI-AXAMJWTMSA-N +BMDB05367 860.78329106 TG(16:0/18:0/18:1(9Z))[iso6] C55H104O6 NPCZZYKITFKRQZ-RFBIWTDZSA-N +BMDB05369 858.767640996 TG(16:0/18:0/18:2(9Z,12Z))[iso6] C55H102O6 MDCUASFVKLEFPW-AXYZMXSISA-N +BMDB05370 882.767640996 TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] C57H102O6 IBSUTTNKAUSOHR-RHFYBLIZSA-N +BMDB05374 832.751990932 TG(16:0/16:1(9Z)/18:0)[iso6] C53H100O6 YSNGWXHIKNKBNE-NURROHNTSA-N +BMDB05375 860.78329106 TG(16:0/16:1(9Z)/20:0)[iso6] C55H104O6 XFUMCVMRUALVIH-FQFQCYJKSA-N +BMDB05376 802.70504074 TG(16:0/16:1(9Z)/16:1(9Z))[iso3] C51H94O6 RUOVJPPUXXFZPC-YZEIBMOJSA-N +BMDB05377 830.736340868 TG(16:0/16:1(9Z)/18:1(9Z))[iso6] C53H98O6 TWJCMQZMAPGUSG-JMFJKIOKSA-N +BMDB05378 858.767640996 TG(16:0/16:1(9Z)/20:1(11Z))[iso6] C55H102O6 IHIYITLVGJUTBO-BPSHQJQISA-N +BMDB05379 828.720690804 TG(16:0/16:1(9Z)/18:2(9Z,12Z))[iso6] C53H96O6 HDFLQJUGWGNORO-BJPYDGQASA-N +BMDB05380 852.720690804 TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C55H96O6 BURBQZUNMNAKMA-UQVRGOOMSA-N +BMDB05382 858.767640996 TG(16:0/18:1(9Z)/18:1(9Z))[iso3] C55H102O6 JFISYPWOVQNHLS-LBXGSASVSA-N +BMDB05383 886.798941124 TG(16:0/18:1(9Z)/20:1(11Z))[iso6] C57H106O6 FPUBLSPUCGHELU-AWEKCPRFSA-N +BMDB05384 856.751990932 TG(16:0/18:1(9Z)/18:2(9Z,12Z))[iso6] C55H100O6 KGLAHZTWGPHKFF-RISKEULASA-N +BMDB05385 880.751990932 TG(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H100O6 KKABVOCYVJCRKP-PZOQESJISA-N +BMDB05386 914.830241252 TG(16:0/20:1(11Z)/20:1(11Z))[iso3] C59H110O6 OJBGBKUEIBXOEG-YYEKOYDESA-N +BMDB05388 886.798941124 TG(16:0/18:2(9Z,12Z)/20:0)[iso6] C57H106O6 KWUMWJZHUAQZMT-IEHWOXSQSA-N +BMDB05389 884.78329106 TG(16:0/18:2(9Z,12Z)/20:1(11Z))[iso6] C57H104O6 YZEDZPDPXZLZNB-YIECYNBOSA-N +BMDB05390 854.736340868 TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C55H98O6 LXAWUIOWWNQCQA-HFHWEOLTSA-N +BMDB05391 878.736340868 TG(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H98O6 NIQCHCDUIPSWDJ-DODJOXOJSA-N +BMDB05393 890.830241252 TG(18:0/18:0/18:0) C57H110O6 DCXXMTOCNZCJGO-UHFFFAOYSA-N +BMDB05395 888.814591188 TG(18:0/18:0/18:1(9Z))[iso3] C57H108O6 YFFIQXNTTVSKJC-NZEOUKRFSA-N +BMDB05397 886.798941124 TG(18:0/18:0/18:2(9Z,12Z))[iso3] C57H106O6 ABFJWRKPWCFTQP-JKFVOKSPSA-N +BMDB05403 886.798941124 TG(18:0/18:1(9Z)/18:1(9Z))[iso3] C57H106O6 RYNHWWNZNIGDAQ-BMTCQUSZSA-N +BMDB05404 914.830241252 TG(18:0/18:1(9Z)/20:1(11Z))[iso6] C59H110O6 OWMDNFFJJVRJMG-BMPUKRIOSA-N +BMDB05405 884.78329106 TG(18:0/18:1(9Z)/18:2(9Z,12Z))[iso6] C57H104O6 CNGSOZKJBWHOEG-KRNHIMMGSA-N +BMDB05407 942.86154138 TG(18:0/20:1(11Z)/20:1(11Z))[iso3] C61H114O6 AFFQVAIMWFYJJS-DTHFMEMVSA-N +BMDB05409 914.830241252 TG(18:0/18:2(9Z,12Z)/20:0)[iso6] C59H110O6 PDEQUPGHMOMBFC-FYEHETCMSA-N +BMDB05411 882.767640996 TG(18:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C57H102O6 PJHDLKOEJMDTBE-XSHDOBLLSA-N +BMDB05412 906.767640996 TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H102O6 CKEOSPBKHRUVTN-CTKOWQHDSA-N +BMDB05421 860.78329106 TG(16:1(9Z)/18:0/18:0)[iso3] C55H104O6 CDKITPQUODTFLF-FQFQCYJKSA-N +BMDB05423 858.767640996 TG(16:1(9Z)/18:0/18:1(9Z))[iso6] C55H102O6 SZXNLYZNXCGSMY-JWVPJFKJSA-N +BMDB05424 886.798941124 TG(16:1(9Z)/18:0/20:1(11Z))[iso6] C57H106O6 MMEBJAFEPYJMGH-MOJLPSOPSA-N +BMDB05425 856.751990932 TG(16:1(9Z)/18:0/18:2(9Z,12Z))[iso6] C55H100O6 HLYOUKKBNQIMLH-CYRKDGISSA-N +BMDB05426 880.751990932 TG(16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] C57H100O6 ITWBZDOMDJKFCH-PXZCBWGVSA-N +BMDB05428 914.830241252 TG(16:1(9Z)/20:0/20:1(11Z))[iso6] C59H110O6 XOCUQHRPEPNSJE-HVYAKTSASA-N +BMDB05430 830.736340868 TG(16:1(9Z)/16:1(9Z)/18:0)[iso3] C53H98O6 QEZWFCZNHWUARW-XQCAQTCHSA-N +BMDB05431 858.767640996 TG(16:1(9Z)/16:1(9Z)/20:0)[iso3] C55H102O6 KKJVTOLWRSMFEP-RLVGKUCASA-N +BMDB05432 800.689390676 "TG(16:1(9Z)/16:1(9Z)/16:1(9Z))[iso] " C51H92O6 SKGWNZXOCSYJQL-BUTYCLJRSA-N +BMDB05433 828.720690804 TG(16:1(9Z)/16:1(9Z)/18:1(9Z))[iso3] C53H96O6 UFHNZOACKFBCOM-YXKNDSBASA-N +BMDB05434 856.751990932 TG(16:1(9Z)/16:1(9Z)/20:1(11Z))[iso3] C55H100O6 YCIPIGLQWOQUJK-PKTDIELCSA-N +BMDB05435 826.70504074 TG(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))[iso3] C53H94O6 PVMBAGXWHHZKFP-JMPJWMFJSA-N +BMDB05436 850.70504074 TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C55H94O6 SWYCMJAKZYLTJN-FKAQGJMVSA-N +BMDB05437 886.798941124 TG(16:1(9Z)/18:1(9Z)/20:0)[iso6] C57H106O6 INYBBHQUSIBINH-OMJPTUBSSA-N +BMDB05438 856.751990932 TG(16:1(9Z)/18:1(9Z)/18:1(9Z))[iso3] C55H100O6 YBWITEZBUYUNFC-GUIYCBLGSA-N +BMDB05439 884.78329106 TG(16:1(9Z)/18:1(9Z)/20:1(11Z))[iso6] C57H104O6 OVEMPQUFJMCLKI-KEKYZYDQSA-N +BMDB05440 854.736340868 TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6] C55H98O6 WHSWXEYWNPTUPW-HNJDVRDNSA-N +BMDB05441 878.736340868 TG(16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H98O6 CDNDFDKFZBPPFW-AXJGXPKFSA-N +BMDB05443 906.767640996 TG(16:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H102O6 NNCCJKNBYUHUAL-QRHSWZDZSA-N +BMDB05444 884.78329106 TG(16:1(9Z)/18:2(9Z,12Z)/20:0)[iso6] C57H104O6 MSQBYCWSXAUJHK-YNTROPROSA-N +BMDB05445 882.767640996 TG(16:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6] C57H102O6 SZYBCITYDACFEY-YJXCAZQISA-N +BMDB05446 852.720690804 TG(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C55H96O6 CQZAAIKPSLHIBC-KDJOUNIJSA-N +BMDB05447 876.720690804 TG(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H96O6 VUNSQJRBLNQFPQ-PGGPBQQQSA-N +BMDB05450 942.86154138 TG(18:1(9Z)/20:0/20:1(11Z))[iso6] C61H114O6 QEBMDFMPVYJRFG-WLPFSFTESA-N +BMDB05452 914.830241252 TG(18:1(9Z)/18:1(9Z)/20:0)[iso3] C59H110O6 JFKGKULDMWLHEK-KMERLIGUSA-N +BMDB05453 884.78329106 TG(18:1(9Z)/18:1(9Z)/18:1(9Z))[iso] C57H104O6 PHYFQTYBJUILEZ-IUPFWZBJSA-N +BMDB05455 882.767640996 TG(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso3] C57H102O6 JTMWOTXEVWLTTO-YKZMILTLSA-N +BMDB05456 906.767640996 TG(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C59H102O6 CKSBRWXVWDFKJD-ALCWIDLZSA-N +BMDB05457 940.845891316 TG(18:1(9Z)/20:1(11Z)/20:1(11Z))[iso3] C61H112O6 RFMSTHTUAZETPD-JJPHLYBUSA-N +BMDB05461 880.751990932 TG(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C57H100O6 VVEBTVMJPTZDHO-YQFZQLSNSA-N +BMDB05464 968.877191444 TG(20:1(11Z)/20:1(11Z)/20:1(11Z)) C63H116O6 XKXYLRHFXANGHG-IUPFWZBJSA-N +BMDB05467 942.86154138 TG(18:2(9Z,12Z)/20:0/20:0)[iso3] C61H114O6 VYGDFJHLNCSFJZ-GDTJZKNMSA-N +BMDB05468 940.845891316 TG(18:2(9Z,12Z)/20:0/20:1(11Z))[iso6] C61H112O6 WYUNJFXMLHILJN-MSTBSTCSSA-N +BMDB05474 878.736340868 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C57H98O6 HBOQXIRUPVQLKX-BBWANDEASA-N +BMDB05781 284.068473486 Glycitein C16H12O5 DXYUAIFZCFRPTH-UHFFFAOYSA-N +BMDB05805 134.109550451 p-Cymene C10H14 HFPZCAJZSCWRBC-UHFFFAOYSA-N +BMDB05808 268.073558866 Formononetin C16H12O4 HKQYGTCOTHHOMP-UHFFFAOYSA-N +BMDB05842 100.088815006 2-Oxohexane C6H12O QQZOPKMRPOGIEB-UHFFFAOYSA-N +BMDB05862 297.107318615 2-Methylguanosine C11H15N5O5 SLEHROROQDYRAW-KQYNXXCUSA-N +BMDB05879 93.991091572 Dimethyldisulfide C2H6S2 WQOXQRCZOLPYPM-UHFFFAOYSA-N +BMDB05949 7.016004049 Lithium Li HBBGRARXTFLTSG-UHFFFAOYSA-N +BMDB05960 129.078978601 "D-Pipecolic acid" C6H11NO2 HXEACLLIILLPRG-RXMQYKEDSA-N +BMDB05994 100.088815006 Hexanal C6H12O JARKCYVAAOWBJS-UHFFFAOYSA-N +BMDB06006 74.073164942 Isobutanol C4H10O ZXEKIIBDNHEJCQ-UHFFFAOYSA-N +BMDB06007 88.088815006 Isopentanol C5H12O PHTQWCKDNZKARW-UHFFFAOYSA-N +BMDB06024 130.062994186 Mevalonolactone C6H10O3 JYVXNLLUYHCIIH-LURJTMIESA-N +BMDB06050 181.073893223 o-Tyrosine C9H11NO3 WRFPVMFCRNYQNR-UHFFFAOYSA-N +BMDB06101 298.120509064 Enterolactone C18H18O4 HVDGDHBAMCBBLR-UHFFFAOYSA-N +BMDB06224 448.209718 17-beta-estradiol-3-glucuronide C24H32O8 MUOHJTRCBBDUOW-BFXFFQJBSA-N +BMDB06236 120.057514878 Phenylacetaldehyde C8H8O DTUQWGWMVIHBKE-UHFFFAOYSA-N +BMDB06246 360.302830528 "Tetracosatetraenoic acid n-6" C24H40O2 RZHACVKGHNMWOP-ZWZRQGCWSA-N +BMDB06270 280.240230268 "Linoelaidic acid" C18H32O2 OYHQOLUKZRVURQ-AVQMFFATSA-N +BMDB06322 358.28718046 "Tetracosapentaenoic acid (24:5n-6)" C24H38O2 VENRYLMOFDSSDJ-WMPRHZDHSA-N +BMDB06323 358.28718046 "Tetracosapentaenoic acid (24:5n-3)" C24H38O2 NPTIBOCVSPURCS-JLNKQSITSA-N +BMDB06478 86.073164942 Iso-Valeraldehyde C5H10O YGHRJJRRZDOVPD-UHFFFAOYSA-N +BMDB06483 133.037507717 "D-Aspartic acid" C4H7NO4 CKLJMWTZIZZHCS-UWTATZPHSA-N +BMDB06525 136.125200515 (+)-a-Pinene C10H16 GRWFGVWFFZKLTI-UHFFFAOYSA-N +BMDB06528 330.255880332 "Clupanodonic acid" C22H34O2 YUFFSWGQGVEMMI-JLNKQSITSA-N +BMDB06547 276.208930142 "Stearidonic acid" C18H28O2 JIWBIWFOSCKQMA-GFRMADBLSA-N +BMDB06569 633.211628071 6'-Sialyllactose C23H39NO19 VMWYCXKMRSTDSP-GIGDJUIZSA-N +BMDB06692 924.307044596 Disialyllactose C34H56N2O27 IESOVNOGVZBLMG-MTEFBGAJSA-N +BMDB06773 302.188194697 11b-Hydroxyandrost-4-ene-3,17-dione C19H26O3 WSCUHXPGYUMQEX-CRIVMUBDSA-N +BMDB06779 147.032028409 Indole-5,6-quinone C8H5NO2 IGGVVGHJSQSLFO-UHFFFAOYSA-N +BMDB06953 390.05632767 1-Phosphatidyl-D-myo-inositol C11H19O13P GUBXYMKIJFOYOA-RYJPWIOHSA-N +BMDB07033 614.491025222 DG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C39H66O5 UNAUUXGPAPFTQK-MTCOIHPXSA-N +BMDB07102 594.52232535 DG(16:0/18:1(9Z)/0:0) C37H70O5 YEJYLHKQOBOSCP-OZKTZCCCSA-N +BMDB07128 564.475375158 DG(16:1(9Z)/16:1(9Z)/0:0) C35H64O5 HSQHRRHRYJNSOC-DWCRPSDDSA-N +BMDB07214 594.52232535 DG(18:1(9Z)/16:0/0:0) C37H70O5 DOZKMFVMCATMEH-OZKTZCCCSA-N +BMDB07218 620.537975414 DG(18:1(9Z)/18:1(9Z)/0:0) C39H72O5 AFSHUZFNMVJNKX-LLWMBOQKSA-N +BMDB07361 652.60057567 DG(20:0/18:0/0:0) C41H80O5 SCGCTMVKIGULND-KDXMTYKHSA-N +BMDB07867 675.483904733 PC(14:0/14:1(9Z)) C36H70NO8P SNDOMDWDQRZWFS-NOLSVFIGSA-N +BMDB07868 691.515204861 PC(14:0/15:0) C37H74NO8P JERIBPHBOOFETI-PGUFJCEWSA-N +BMDB07869 705.530854925 PC(14:0/16:0) C38H76NO8P RFVFQQWKPSOBED-PSXMRANNSA-N +BMDB07870 703.515204861 PC(14:0/16:1(9Z)) C38H74NO8P XGGMHQYOVYWRLV-IZNHTBNISA-N +BMDB07871 733.562155053 PC(14:0/18:0) C40H80NO8P TYAQXZHDAGZOEO-KXQOOQHDSA-N +BMDB07873 731.546504989 PC(14:0/18:1(9Z)) C40H78NO8P NXASLICYTANYBI-OQHNRNOKSA-N +BMDB07874 729.530854925 PC(14:0/18:2(9Z,12Z)) C40H76NO8P IWXJKHSPEQSQMD-GMGFYYQASA-N +BMDB07875 727.515204861 PC(14:0/18:3(6Z,9Z,12Z)) C40H74NO8P VZQRMZUULSWEHB-XCFXQIAYSA-N +BMDB07876 727.515204861 PC(14:0/18:3(9Z,12Z,15Z)) C40H74NO8P AGQKQQAJRFTOGL-XPTMXNASSA-N +BMDB07878 761.593455181 PC(14:0/20:0) C42H84NO8P VELOKQJUJJVGMB-RRHRGVEJSA-N +BMDB07879 759.577805117 PC(14:0/20:1(11Z)) C42H82NO8P DMEBDXIQFIKNQR-OIJJMQLXSA-N +BMDB07880 757.562155053 PC(14:0/20:2(11Z,14Z)) C42H80NO8P IRYMXEVDAKMFIF-YBLKGUNISA-N +BMDB07882 755.546504989 PC(14:0/20:3(8Z,11Z,14Z)) C42H78NO8P ZAUFLMLTXNKVAB-AFYHZPHLSA-N +BMDB07883 753.530854925 PC(14:0/20:4(5Z,8Z,11Z,14Z)) C42H76NO8P SRQSAJRUMDQMMS-NLDJLLEISA-N +BMDB07886 789.624755309 PC(14:0/22:0) C44H88NO8P KNQNJCODLDRFSM-HUESYALOSA-N +BMDB07887 787.609105245 PC(14:0/22:1(13Z)) C44H86NO8P LOVKBDFNFACEND-HSEDGGQWSA-N +BMDB07889 781.562155053 PC(14:0/22:4(7Z,10Z,13Z,16Z)) C44H80NO8P UDOCLKXJVMJFLD-CCHOKCMJSA-N +BMDB07891 779.546504989 PC(14:0/22:5(7Z,10Z,13Z,16Z,19Z)) C44H78NO8P SFEMWZZGMMRGCX-DYPKKMQZSA-N +BMDB07899 675.483904733 PC(14:1(9Z)/14:0) C36H70NO8P XQPYHFHTTVXZKL-XBEBLRSGSA-N +BMDB07902 703.515204861 PC(14:1(9Z)/16:0) C38H74NO8P ANKCYRKQDLQXGL-MRDDHZETSA-N +BMDB07904 731.546504989 PC(14:1(9Z)/18:0) C40H78NO8P USMRUWLOXQOAAX-IUXSEFJDSA-N +BMDB07906 729.530854925 PC(14:1(9Z)/18:1(9Z)) C40H76NO8P KFGSHFVDCHWRGE-LULHKCDZSA-N +BMDB07907 727.515204861 PC(14:1(9Z)/18:2(9Z,12Z)) C40H74NO8P FLXFESILEUFIBE-SHAXIEEXSA-N +BMDB07911 759.577805117 PC(14:1(9Z)/20:0) C42H82NO8P SJLGFZBXPQKJIH-LLVYEJTBSA-N +BMDB07912 757.562155053 PC(14:1(9Z)/20:1(11Z)) C42H80NO8P OLUKQTJCNPHKRC-LYJZGNKWSA-N +BMDB07913 755.546504989 PC(14:1(9Z)/20:2(11Z,14Z)) C42H78NO8P KBHCBANQRIOXLD-FRPVHTQQSA-N +BMDB07915 753.530854925 PC(14:1(9Z)/20:3(8Z,11Z,14Z)) C42H76NO8P MGHZJKXUBUUNJR-PCBJBAEXSA-N +BMDB07919 787.609105245 PC(14:1(9Z)/22:0) C44H86NO8P OSTGKIDWKPXCRQ-FASREOMLSA-N +BMDB07920 785.593455181 PC(14:1(9Z)/22:1(13Z)) C44H84NO8P CGXBWJDAGMQUFG-MHJIJCEHSA-N +BMDB07922 779.546504989 PC(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C44H78NO8P XBLSNYPBWMKQLW-WPNBCRARSA-N +BMDB07932 691.515204861 PC(15:0/14:0) C37H74NO8P NRUYJKRRJLLXGF-PGUFJCEWSA-N +BMDB07934 705.530854925 PC(15:0/15:0) C38H76NO8P LJARBVLDSOWRJT-PSXMRANNSA-N +BMDB07935 719.546504989 PC(15:0/16:0) C39H78NO8P LLHISNQVRRYJGL-DIPNUNPCSA-N +BMDB07936 717.530854925 PC(15:0/16:1(9Z)) C39H76NO8P QFVHCMLUKNHDSH-WTWBAFHPSA-N +BMDB07937 747.577805117 PC(15:0/18:0) C41H82NO8P SKPMPGXBXHJZPS-LDLOPFEMSA-N +BMDB07939 745.562155053 PC(15:0/18:1(9Z)) C41H80NO8P ZEWLMKXMNQOCOQ-KUNNKMQBSA-N +BMDB07940 743.546504989 PC(15:0/18:2(9Z,12Z)) C41H78NO8P DGBYUHHIADYUMU-UESLNCBNSA-N +BMDB07944 775.609105245 PC(15:0/20:0) C43H86NO8P OUQNLKQTFDIKCN-VQJSHJPSSA-N +BMDB07945 773.593455181 PC(15:0/20:1(11Z)) C43H84NO8P TYQXQGGTOWQUKL-HFWGUVFESA-N +BMDB07946 771.577805117 PC(15:0/20:2(11Z,14Z)) C43H82NO8P XSSUJRSOHXBICQ-GPDPEMMZSA-N +BMDB07948 769.562155053 PC(15:0/20:3(8Z,11Z,14Z)) C43H80NO8P ILVRORZGIYNHIC-XWIBIVISSA-N +BMDB07953 803.640405373 PC(15:0/22:0) C45H90NO8P QIDZFMDALJEYDR-VZUYHUTRSA-N +BMDB07965 705.530854925 PC(16:0/14:0) C38H76NO8P UIXXHROAQSBBOV-PSXMRANNSA-N +BMDB07966 703.515204861 PC(16:0/14:1(9Z)) C38H74NO8P XIVQWQSVYQCUSU-MRDDHZETSA-N +BMDB07967 719.546504989 PC(16:0/15:0) C39H78NO8P NPGWXTIWUUFYAB-DIPNUNPCSA-N +BMDB07969 731.546504989 PC(16:0/16:1(9Z)) C40H78NO8P QIBZFHLFHCIUOT-NPBIGWJUSA-N +BMDB07970 761.593455181 PC(16:0/18:0) C42H84NO8P PZNPLUBHRSSFHT-RRHRGVEJSA-N +BMDB07972 759.577805117 PC(16:0/18:1(9Z)) C42H82NO8P WTJKGGKOPKCXLL-VYOBOKEXSA-N +BMDB07973 757.562155053 PC(16:0/18:2(9Z,12Z)) C42H80NO8P JLPULHDHAOZNQI-ZTIMHPMXSA-N +BMDB07974 755.546504989 PC(16:0/18:3(6Z,9Z,12Z)) C42H78NO8P CNNSEHUKQJCGTE-UPPWDXJYSA-N +BMDB07975 755.546504989 PC(16:0/18:3(9Z,12Z,15Z)) C42H78NO8P JMAYDGBZRHQJAT-QWFQJEORSA-N +BMDB07976 753.530854925 PC(16:0/18:4(6Z,9Z,12Z,15Z)) C42H76NO8P USCDCOXUROEQQA-ZPWYYLPXSA-N +BMDB07977 789.624755309 PC(16:0/20:0) C44H88NO8P HVPURDWMANOTFO-HUESYALOSA-N +BMDB07978 787.609105245 PC(16:0/20:1(11Z)) C44H86NO8P MZZHKIPFYPOYKP-NYJULOOZSA-N +BMDB07979 785.593455181 PC(16:0/20:2(11Z,14Z)) C44H84NO8P ZRTZULWIAWDUBY-UXSLIEDSSA-N +BMDB07981 783.577805117 PC(16:0/20:3(8Z,11Z,14Z)) C44H82NO8P SRIGHEHXEGELQJ-YYQUKWHJSA-N +BMDB07982 781.562155053 PC(16:0/20:4(5Z,8Z,11Z,14Z)) C44H80NO8P IIZPXYDJLKNOIY-JXPKJXOSSA-N +BMDB07984 779.546504989 PC(16:0/20:5(5Z,8Z,11Z,14Z,17Z)) C44H78NO8P KLTHQSWIRFFBRI-CPFPVJFHSA-N +BMDB07988 809.593455181 PC(16:0/22:4(7Z,10Z,13Z,16Z)) C46H84NO8P IRWRFKUTKSUFST-MDYGELLQSA-N +BMDB07990 807.577805117 PC(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C46H82NO8P ARDJUHDXABDVFH-ZHSIBHBUSA-N +BMDB07991 805.562155053 PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H80NO8P IESVDEZGAHUQJU-ZLBXKVHBSA-N +BMDB07998 703.515204861 PC(16:1(9Z)/14:0) C38H74NO8P RHCWZMAZVBVICJ-IZNHTBNISA-N +BMDB08000 717.530854925 PC(16:1(9Z)/15:0) C39H76NO8P DZDGAJVMZIHSLH-WTWBAFHPSA-N +BMDB08001 731.546504989 PC(16:1(9Z)/16:0) C40H78NO8P IPMVHVDAYPUFKH-WYRBGLKBSA-N +BMDB08002 729.530854925 PC(16:1(9Z)/16:1(9Z)) C40H76NO8P GPWHCUUIQMGELX-VHQDNGOZSA-N +BMDB08003 759.577805117 PC(16:1(9Z)/18:0) C42H82NO8P LJUDFFWSOQEQKW-QCFYSATCSA-N +BMDB08005 757.562155053 PC(16:1(9Z)/18:1(9Z)) C42H80NO8P ZRCWDIULNHKQRD-RWGOWQMXSA-N +BMDB08006 755.546504989 PC(16:1(9Z)/18:2(9Z,12Z)) C42H78NO8P QJWDAOSZZYVBJZ-KXESGEQTSA-N +BMDB08007 753.530854925 PC(16:1(9Z)/18:3(6Z,9Z,12Z)) C42H76NO8P ZZLFVAJFRYBVSN-URBNVOGLSA-N +BMDB08008 753.530854925 PC(16:1(9Z)/18:3(9Z,12Z,15Z)) C42H76NO8P MMUCLZZSNHBNFL-KBTBXKTRSA-N +BMDB08010 787.609105245 PC(16:1(9Z)/20:0) C44H86NO8P YFGYYMPGHQJKLU-HTDYWKJCSA-N +BMDB08011 785.593455181 PC(16:1(9Z)/20:1(11Z)) C44H84NO8P RPEHVLWFOYUNMD-NPCYKUJHSA-N +BMDB08012 783.577805117 PC(16:1(9Z)/20:2(11Z,14Z)) C44H82NO8P IIGHFIDXVYEMME-ZAEMQJNLSA-N +BMDB08014 781.562155053 PC(16:1(9Z)/20:3(8Z,11Z,14Z)) C44H80NO8P SCFKGVINVZBYAF-MLQXCARSSA-N +BMDB08015 779.546504989 PC(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C44H78NO8P DYDDZDMJSQYFGN-OIVUZXIWSA-N +BMDB08021 807.577805117 PC(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C46H82NO8P XJISBSFDFOVVHI-QIOBQPIHSA-N +BMDB08024 805.562155053 PC(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C46H80NO8P WNHOGFDQJFYPDE-GBGUCBAQSA-N +BMDB08026 841.656055437 PC(16:1(9Z)/24:1(15Z)) C48H92NO8P FVYIRCQXEGIKHY-QYQAGSNQSA-N +BMDB08031 733.562155053 PC(18:0/14:0) C40H80NO8P MZWGYEJOZNRLQE-KXQOOQHDSA-N +BMDB08032 731.546504989 PC(18:0/14:1(9Z)) C40H78NO8P DHRQNMSQBJKUCK-IUXSEFJDSA-N +BMDB08033 747.577805117 PC(18:0/15:0) C41H82NO8P FHENRYRLCPXONH-LDLOPFEMSA-N +BMDB08034 761.593455181 PC(18:0/16:0) C42H84NO8P BYSIMVBIJVBVPA-RRHRGVEJSA-N +BMDB08035 759.577805117 PC(18:0/16:1(9Z)) C42H82NO8P QRSPNOMDLRZDPG-QCFYSATCSA-N +BMDB08036 789.624755309 PC(18:0/18:0) C44H88NO8P NRJAVPSFFCBXDT-HUESYALOSA-N +BMDB08038 787.609105245 PC(18:0/18:1(9Z)) C44H86NO8P ATHVAWFAEPLPPQ-VRDBWYNSSA-N +BMDB08039 785.593455181 PC(18:0/18:2(9Z,12Z)) C44H84NO8P FORFDCPQKJHEBF-VPUSDGANSA-N +BMDB08040 783.577805117 PC(18:0/18:3(6Z,9Z,12Z)) C44H82NO8P KJVJKBRMUDGTKA-NZXQIXPOSA-N +BMDB08041 783.577805117 PC(18:0/18:3(9Z,12Z,15Z)) C44H82NO8P WZCLAXMADUBPSG-RIXBAXMTSA-N +BMDB08042 781.562155053 PC(18:0/18:4(6Z,9Z,12Z,15Z)) C44H80NO8P MGIFJPVLDQAGPZ-ROBDCESFSA-N +BMDB08045 813.624755309 PC(18:0/20:2(11Z,14Z)) C46H88NO8P ZQLPLCXRBVPKGP-UHKGRJRRSA-N +BMDB08047 811.609105245 PC(18:0/20:3(8Z,11Z,14Z)) C46H86NO8P VGSUMLIRUGDCTF-NSMRCOLJSA-N +BMDB08048 809.593455181 PC(18:0/20:4(5Z,8Z,11Z,14Z)) C46H84NO8P PSVRFUPOQYJOOZ-QNPWAGBNSA-N +BMDB08050 807.577805117 PC(18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C46H82NO8P ZMNDHWFRGYCJKG-UQIQIHEKSA-N +BMDB08054 837.624755309 PC(18:0/22:4(7Z,10Z,13Z,16Z)) C48H88NO8P AXZGUCXCTZMPTR-UVGACIQRSA-N +BMDB08097 731.546504989 PC(18:1(9Z)/14:0) C40H78NO8P KIVAJCJTVPWSRJ-OQHNRNOKSA-N +BMDB08098 729.530854925 PC(18:1(9Z)/14:1(9Z)) C40H76NO8P VYABGHZPSJWGOZ-LULHKCDZSA-N +BMDB08099 745.562155053 PC(18:1(9Z)/15:0) C41H80NO8P CLISCKGHRKPSQH-KUNNKMQBSA-N +BMDB08100 759.577805117 PC(18:1(9Z)/16:0) C42H82NO8P RRVPPYNAZJRZFR-VYOBOKEXSA-N +BMDB08101 757.562155053 PC(18:1(9Z)/16:1(9Z)) C42H80NO8P QJZAWHQVXYMEQR-RWGOWQMXSA-N +BMDB08102 787.609105245 PC(18:1(9Z)/18:0) C44H86NO8P NMJCSTNQFYPVOR-VHONOUADSA-N +BMDB08105 783.577805117 PC(18:1(9Z)/18:2(9Z,12Z)) C44H82NO8P GDWULUGDXGHJIJ-VJHNMZKJSA-N +BMDB08106 781.562155053 PC(18:1(9Z)/18:3(6Z,9Z,12Z)) C44H80NO8P KATPUHPZOZWFBR-ZBFGQIGBSA-N +BMDB08107 781.562155053 PC(18:1(9Z)/18:3(9Z,12Z,15Z)) C44H80NO8P FVQGNFUBHWGFCY-HJOYQDMMSA-N +BMDB08108 779.546504989 PC(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C44H78NO8P VTBLOCMXAXXMCO-ITFWVWPTSA-N +BMDB08110 813.624755309 PC(18:1(9Z)/20:1(11Z)) C46H88NO8P JLDQDLKBBDQYDE-WWUFLCHTSA-N +BMDB08111 811.609105245 PC(18:1(9Z)/20:2(11Z,14Z)) C46H86NO8P MGYXVNKVMWUCEN-UETRTARBSA-N +BMDB08113 809.593455181 PC(18:1(9Z)/20:3(8Z,11Z,14Z)) C46H84NO8P HLJHXSCXSDXLNW-OHDHZNPQSA-N +BMDB08114 807.577805117 PC(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C46H82NO8P ZAYXPDDGEIJGGW-VSDNDEBUSA-N +BMDB08116 805.562155053 PC(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C46H80NO8P PAQLDAUPMINLDS-UTNJSSBTSA-N +BMDB08118 841.656055437 PC(18:1(9Z)/22:1(13Z)) C48H92NO8P MOAVQOSWWXXGJQ-ACZCORRTSA-N +BMDB08130 729.530854925 PC(18:2(9Z,12Z)/14:0) C40H76NO8P IORKBJYFXXCDMP-GMGFYYQASA-N +BMDB08131 727.515204861 PC(18:2(9Z,12Z)/14:1(9Z)) C40H74NO8P MEEAGHVLDDTFHZ-SHAXIEEXSA-N +BMDB08132 743.546504989 PC(18:2(9Z,12Z)/15:0) C41H78NO8P SBNDHGBVMZMSNL-UESLNCBNSA-N +BMDB08133 757.562155053 PC(18:2(9Z,12Z)/16:0) C42H80NO8P FWMYJLDHIVCJCT-ZTIMHPMXSA-N +BMDB08134 755.546504989 PC(18:2(9Z,12Z)/16:1(9Z)) C42H78NO8P PPCVNZFMCABQCL-KXESGEQTSA-N +BMDB08135 785.593455181 PC(18:2(9Z,12Z)/18:0) C44H84NO8P DZPKSVTWWIZUMS-FPUNCOTOSA-N +BMDB08137 783.577805117 PC(18:2(9Z,12Z)/18:1(9Z)) C44H82NO8P RTAZWRZKFSTMOY-NMSVECGZSA-N +BMDB08138 781.562155053 PC(18:2(9Z,12Z)/18:2(9Z,12Z)) C44H80NO8P FVXDQWZBHIXIEJ-LNDKUQBDSA-N +BMDB08140 779.546504989 PC(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) C44H78NO8P ZYUVFKWRZDKQNL-YHOYFWGCSA-N +BMDB08141 779.546504989 PC(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) C44H78NO8P HZGAVPNEGHQJID-UNBCHYIMSA-N +BMDB08143 813.624755309 PC(18:2(9Z,12Z)/20:0) C46H88NO8P IMVSFXGBZBLWFA-FMJYHZMHSA-N +BMDB08144 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JKDOKILDEIEPFZ-LGPFJNBISA-N +BMDB08499 805.562155053 PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)) C46H80NO8P JZKMYCPNBSRARO-YMBRLFDISA-N +BMDB08525 789.624755309 PC(22:0/14:0) C44H88NO8P JFNNIQMJYCUZKY-HUESYALOSA-N +BMDB08526 787.609105245 PC(22:0/14:1(9Z)) C44H86NO8P RGHFEAMZDBFLPO-FASREOMLSA-N +BMDB08527 803.640405373 PC(22:0/15:0) C45H90NO8P AAQYYLOZSPSSEX-VZUYHUTRSA-N +BMDB08533 841.656055437 PC(22:0/18:2(9Z,12Z)) C48H92NO8P LDQMGTRKTWSKIW-QGXZLJJESA-N +BMDB08534 839.640405373 PC(22:0/18:3(6Z,9Z,12Z)) C48H90NO8P OFWRYSQDJOQSHU-FARFQYTLSA-N +BMDB08535 839.640405373 PC(22:0/18:3(9Z,12Z,15Z)) C48H90NO8P JYFWSVLYQSTYHE-NOAWTOFZSA-N +BMDB08536 837.624755309 PC(22:0/18:4(6Z,9Z,12Z,15Z)) C48H88NO8P LFDYHYAWJHIDTQ-GFEYAWDCSA-N +BMDB08546 899.734305757 PC(22:0/22:1(13Z)) C52H102NO8P LTXUEXPDKWPLQA-ZMGYLBOHSA-N +BMDB08553 927.765605885 PC(22:0/24:1(15Z)) C54H106NO8P YVOMCNAZZLQFGN-BJHYVVJGSA-N +BMDB08558 787.609105245 PC(22:1(13Z)/14:0) C44H86NO8P RSKUBXWDAIDNLE-HSEDGGQWSA-N +BMDB08559 785.593455181 PC(22:1(13Z)/14:1(9Z)) C44H84NO8P CYQUGAJGPGKDFF-MHJIJCEHSA-N +BMDB08564 841.656055437 PC(22:1(13Z)/18:1(9Z)) C48H92NO8P CZZWUVSNBSTVTM-ACZCORRTSA-N +BMDB08565 839.640405373 PC(22:1(13Z)/18:2(9Z,12Z)) C48H90NO8P QITWVLBMWWSFPO-PUXNAPJVSA-N +BMDB08566 837.624755309 PC(22:1(13Z)/18:3(6Z,9Z,12Z)) C48H88NO8P BUYWHDOUDGEIHW-YEHISXKXSA-N +BMDB08567 837.624755309 PC(22:1(13Z)/18:3(9Z,12Z,15Z)) C48H88NO8P FHUAYOMRHXZKHT-JUGJLYODSA-N +BMDB08623 781.562155053 PC(22:4(7Z,10Z,13Z,16Z)/14:0) C44H80NO8P FHBLNLYBVANDFG-CCHOKCMJSA-N +BMDB08624 779.546504989 PC(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)) C44H78NO8P UJZMLLMWTJZZJX-WPNBCRARSA-N +BMDB08626 809.593455181 PC(22:4(7Z,10Z,13Z,16Z)/16:0) C46H84NO8P LKZIWAABXRQNGG-JAYRDFRFSA-N +BMDB08627 807.577805117 PC(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)) C46H82NO8P STHWQCYHQJBDDB-SYONOARRSA-N +BMDB08628 837.624755309 PC(22:4(7Z,10Z,13Z,16Z)/18:0) C48H88NO8P YVFBVKJWPMCQQG-NRICRUJBSA-N +BMDB08689 779.546504989 PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:0) C44H78NO8P LPZVTJRCWZIDNE-DYPKKMQZSA-N +BMDB08725 805.562155053 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0) C46H80NO8P YALZVLCVXOASDL-FZGNBNATSA-N +BMDB08768 899.734305757 PC(24:0/20:1(11Z)) C52H102NO8P FPTZGKMFUCCQES-ZMGYLBOHSA-N +BMDB08792 841.656055437 PC(24:1(15Z)/16:1(9Z)) C48H92NO8P ZHHDWDXQYDFYKQ-QYQAGSNQSA-N +BMDB10381 481.316839407 LysoPC(15:0) C23H48NO7P RJZVWDTYEWCUAR-JOCHJYFZSA-N +BMDB10382 495.332489471 LysoPC(16:0) C24H50NO7P ASWBNKHCZGQVJV-HSZRJFAPSA-N +BMDB10386 519.332489471 LysoPC(18:2(9Z,12Z)) C26H50NO7P SPJFYYJXNPEZDW-FTJOPAKQSA-N +BMDB10411 778.70504074 TG(16:0/14:0/16:0)[iso3] C49H94O6 NSQZMMPMMBEIIA-UHFFFAOYSA-N +BMDB10412 776.689390676 TG(16:0/14:0/16:1(9Z))[iso6] C49H92O6 VUYXIQLBLBPRDY-FIZKWYBOSA-N +BMDB10413 806.736340868 TG(16:0/14:0/18:0)[iso6] C51H98O6 HVGKTEKOBPKGTR-QSCHNALKSA-N +BMDB10414 804.720690804 TG(16:0/14:0/18:1(9Z))[iso6] C51H96O6 OXKCYPBFNOPGNR-FOBNYNKYSA-N +BMDB10416 832.751990932 TG(16:0/16:0/18:1(11Z))[iso3] C53H100O6 ZKEWGTVAIGJNBK-VLBIAFCBSA-N +BMDB10417 828.720690804 TG(16:0/16:0/18:3(9Z,12Z,15Z))[iso3] C53H96O6 WLFXGZDFDKIDIL-AVVZNEQPSA-N +BMDB10418 878.736340868 TG(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] C57H98O6 GNADFLWMYUNMMR-RWKYOVKRSA-N +BMDB10423 830.736340868 TG(16:1(9Z)/16:0/18:1(11Z))[iso6] C53H98O6 TVENQJOAVIJNCV-WMKGZJNJSA-N +BMDB10424 826.70504074 TG(16:1(9Z)/16:0/18:3(9Z,12Z,15Z))[iso6] C53H94O6 LCCSSJALYOQLAY-PXKDUDJKSA-N +BMDB10425 858.767640996 TG(16:1(9Z)/18:0/18:1(11Z))[iso6] C55H102O6 QOKAQJJBGBHKQF-BHSMRSOWSA-N +BMDB10426 804.720690804 TG(18:0/14:0/16:1(9Z))[iso6] C51H96O6 GDRDGFOLBPNIBE-XSIURGGPSA-N +BMDB10427 834.767640996 TG(18:0/14:0/18:0)[iso3] C53H102O6 MARPCPMDFOPPJX-UHFFFAOYSA-N +BMDB10428 832.751990932 TG(18:0/14:0/18:1(11Z))[iso6] C53H100O6 MITUBFKADCJAMS-ZMSSUMMHSA-N +BMDB10429 832.751990932 TG(18:0/14:0/18:1(9Z))[iso6] C53H100O6 IFVQPZDHFMEHAS-YVUYSCDNSA-N +BMDB10430 830.736340868 TG(18:0/14:0/18:2(9Z,12Z))[iso6] C53H98O6 ODCBLKWKYWYBIY-TUVYQMNMSA-N +BMDB10431 860.78329106 TG(18:0/16:0/18:1(11Z))[iso6] C55H104O6 XWOGDCXWTYZPKJ-QCSIWSIHSA-N +BMDB10434 830.736340868 TG(18:1(11Z)/14:0/18:1(11Z))[iso3] C53H98O6 KSDAXSHCJFDETR-IKJQKJQYSA-N +BMDB10435 830.736340868 TG(18:1(11Z)/14:0/18:1(9Z))[iso6] C53H98O6 FYLBINGMERYUTQ-MSOJSNCQSA-N +BMDB10437 858.767640996 TG(18:1(11Z)/16:0/18:1(11Z))[iso3] C55H102O6 SFJDWDOXOLBSHJ-IKJQKJQYSA-N +BMDB10438 858.767640996 TG(18:1(11Z)/16:0/18:1(9Z))[iso6] C55H102O6 HYQDVSFOHNVBHQ-RXBOFXCQSA-N +BMDB10441 880.751990932 TG(18:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z))[iso6] C57H100O6 MZKZFZRBZNYKEI-JHELZGSHSA-N +BMDB10448 830.736340868 TG(18:1(9Z)/14:0/18:1(9Z))[iso3] C53H98O6 DDNSMJIEBXEPOS-DSOYXUETSA-N +BMDB10453 878.736340868 TG(18:1(9Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C57H98O6 QFWRCXUOTZVILC-UHMKBKRGSA-N +BMDB10454 906.767640996 TG(18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C59H102O6 FMWBJEAEGFGGAB-URMSEKCYSA-N +BMDB10459 880.751990932 TG(18:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6] C57H100O6 GOEUQPTVSLNGLY-SIPJYBKGSA-N +BMDB10460 880.751990932 TG(18:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3] C57H100O6 OEJXMJPFOHYSIU-GRLFFVHSSA-N +BMDB10466 940.845891316 TG(18:1(9Z)/18:1(9Z)/22:1(13Z))[iso3] C61H112O6 TUJAWJCRCOOMQU-MPSDTBBVSA-N +BMDB10470 826.70504074 TG(18:2(9Z,12Z)/14:0/18:2(9Z,12Z))[iso3] C53H94O6 JZVVUGYNBNZRQI-ZBTSZJFVSA-N +BMDB10472 850.70504074 TG(18:2(9Z,12Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso6] C55H94O6 HQPWVNCYCOACEY-OAXWTFOCSA-N +BMDB10475 876.720690804 TG(18:2(9Z,12Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C57H96O6 ABKREXPZUFOPCM-ZKSUYQBGSA-N +BMDB10477 880.751990932 TG(18:2(9Z,12Z)/18:0/18:3(9Z,12Z,15Z))[iso6] C57H100O6 RRAQCLWYZXSZBE-ATHBHBQWSA-N +BMDB10479 880.751990932 TG(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))[iso3] C57H100O6 YJBUODNAHDVYLJ-LNZLXKATSA-N +BMDB10481 878.736340868 TG(18:2(9Z,12Z)/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6] C57H98O6 JEUSYMMQMCKJOY-YHOLSIJASA-N +BMDB10482 878.736340868 TG(18:2(9Z,12Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6] C57H98O6 POGJAUDNOWLVNS-GTFIAHEWSA-N +BMDB10485 906.767640996 TG(18:2(9Z,12Z)/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6] C59H102O6 BAYJGANIIKHKCP-JKEXLARWSA-N +BMDB10489 876.720690804 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso3] C57H96O6 GBDGUGNAHCFRDF-HCMATFEHSA-N +BMDB10490 876.720690804 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso3] C57H96O6 NGPHUAVENUDDAO-VFDREBADSA-N +BMDB10491 906.767640996 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:2(11Z,14Z))[iso3] C59H102O6 ZTNDRFCABXFVMY-WJTCTALZSA-N +BMDB10499 850.70504074 TG(18:3(9Z,12Z,15Z)/16:0/18:3(9Z,12Z,15Z))[iso3] C55H94O6 RHWAKRNYKAWEPQ-HTINPRBKSA-N +BMDB10501 878.736340868 TG(18:3(9Z,12Z,15Z)/18:0/18:3(9Z,12Z,15Z))[iso3] C57H98O6 YNIUACHBBNUDCJ-AEIMPNQHSA-N +BMDB10502 876.720690804 TG(18:3(9Z,12Z,15Z)/18:1(11Z)/18:3(9Z,12Z,15Z))[iso3] C57H96O6 XAPLGDBVXAOWFP-MLQCFMLMSA-N +BMDB10503 876.720690804 TG(18:3(9Z,12Z,15Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3] C57H96O6 NVWCWIVBYYFJGP-NVKSNHTESA-N +BMDB10519 876.720690804 TG(20:4(5Z,8Z,11Z,14Z)/16:0/18:3(9Z,12Z,15Z))[iso6] C57H96O6 OREFSGWJXDJEBG-VJKJLHIWSA-N +BMDB10710 755.627518701 "Galactosylceramide (d18:1/20:0) " C44H85NO8 DFELABABMXOKTD-RBULGSFCSA-N +BMDB11128 523.363789599 LysoPC(0:0/18:0) C26H54NO7P IQGPMZRCLCCXAG-RUZDIDTESA-N +BMDB11151 743.582890495 PC(O-16:0/18:2(9Z,12Z)) C42H82NO7P IQACMFWAGALEAQ-WESJWMGVSA-N +BMDB11163 248.064450748 "L-beta-aspartyl-L-aspartic acid " C8H12N2O7 KXAWLANLJYMEGB-UHFFFAOYSA-N +BMDB11165 190.05897144 "L-beta-aspartyl-L-glycine " C6H10N2O5 ZTEDWFWBGPKUOD-UHFFFAOYSA-N +BMDB11174 228.147392516 "L-isoleucyl-L-proline " C11H20N2O3 BBIXOODYWPFNDT-UHFFFAOYSA-N +BMDB11175 228.147392516 "L-leucyl-L-proline " C11H20N2O3 VTJUNIYRYIAIHF-UHFFFAOYSA-N +BMDB11177 262.131742452 "L-phenylalanyl-L-proline " C14H18N2O3 WEQJQNWXCSUVMA-UHFFFAOYSA-N +BMDB11180 212.116092388 "L-prolyl-L-proline " C10H16N2O3 RWCOTTLHDJWHRS-UHFFFAOYSA-N +BMDB11201 837.624755309 PC(20:3(8Z,11Z,14Z)/20:1(11Z)) C48H88NO8P LZXZOHSYOCWXFB-DWTYVZKUSA-N +BMDB11420 747.520290239 PE(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C43H74NO7P RDLRIZLZWSNORN-FSOAWXQVSA-N +BMDB11635 172.019414812 "p-Cresol sulfate" C7H8O3S JOXIMZWYDAKGHI-UHFFFAOYSA-N +BMDB11700 844.751990932 TG(15:0/16:0/20:2(11Z,14Z))[iso6] C54H100O6 VVCOWDFFHRITHU-AMOPXLHCSA-N +BMDB11701 842.736340868 TG(15:0/16:0/20:3(8Z,11Z,14Z))[iso6] C54H98O6 NVBSJAZGISYRIW-TYTGEOLTSA-N +BMDB11702 840.720690804 TG(15:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso6] C54H96O6 LVHOHHSODZICOO-WWFLFYERSA-N +BMDB11703 844.751990932 TG(15:0/18:0/18:2(9Z,12Z))[iso6] C54H100O6 HRJZTBUCFKIMBE-TXWVTNJISA-N +BMDB11704 842.736340868 TG(15:0/18:0/18:3(9Z,12Z,15Z))[iso6] C54H98O6 QELMLHKKGIZABI-ZCTUBHHNSA-N +BMDB11705 818.736340868 TG(15:0/18:1(9Z)/16:0)[iso6] C52H98O6 BSQPTNJXCHRJSC-WURLXDQTSA-N +BMDB11707 844.751990932 TG(15:0/18:1(9Z)/18:1(9Z))[iso3] C54H100O6 AWIUIZBTCDJMSM-JGORSHKTSA-N +BMDB11708 842.736340868 TG(15:0/18:1(9Z)/18:2(9Z,12Z))[iso6] C54H98O6 AFUGNQFGFOCTMS-GBFVOJRPSA-N +BMDB11709 840.720690804 TG(15:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6] C54H96O6 AKXOSLAHFAWDCG-KQCPJNLHSA-N +BMDB11711 840.720690804 TG(15:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C54H96O6 MIHLTJZHRJACQQ-QORKGRBZSA-N +BMDB11712 818.736340868 TG(15:0/20:0/14:1(9Z))[iso6] C52H98O6 OYJCGTSOIVQMIE-GFFYSNCTSA-N +BMDB11713 818.736340868 TG(15:0/20:1(11Z)/14:0)[iso6] C52H98O6 LJWLZNNKGFHCMA-AHTWSVOLSA-N +BMDB11723 193.073893223 "2-Methylhippuric acid" C10H11NO3 YOEBAVRJHRCKRE-UHFFFAOYSA-N +BMDB11733 132.053492132 Glycyl-glycine C4H8N2O3 YMAWOPBAYDPSLA-UHFFFAOYSA-N +BMDB11760 539.527745079 Cer(d18:0/16:0) C34H69NO3 GCGTXOVNNFGTPQ-JHOUSYSJSA-N +BMDB11766 621.605995399 Cer(d18:0/22:1(13Z)) C40H79NO3 AOHMXFJFQLUIJL-RDUWXOKWSA-N +BMDB11769 649.637295527 Cer(d18:0/24:1(15Z)) C42H83NO3 YUULKFVZRXQHPM-ATHUGRIKSA-N +BMDB12089 730.59887491 SM(d18:0/18:1(9Z)) C41H83N2O6P XYLWKHKCYHMVMA-RVPJYPCXSA-N +BMDB12095 814.692775294 SM(d18:0/24:1(15Z)) C47H95N2O6P XZBDYCJQWJNNJB-CFLZVKAOSA-N +BMDB12133 108.021129372 1,2-Benzoquinone C6H4O2 WOAHJDHKFWSLKE-UHFFFAOYSA-N +BMDB12275 121.089149357 Phenylethylamine C8H11N BHHGXPLMPWCGHP-UHFFFAOYSA-N +BMDB12305 550.060105754 UDP-L-rhamnose C15H24N2O16P2 DRDCJEIZVLVWNC-SLBWPEPYSA-N +BMDB12328 254.224580204 "Palmitelaidic acid" C16H30O2 SECPZKHBENQXJG-BQYQJAHWSA-N +BMDB12971 102.10446507 1-Hexanol C6H14O ZSIAUFGUXNUGDI-UHFFFAOYSA-N +BMDB13025 355.263705364 "6,9,12,15,18,21-Tetracosahexaenoic acid" C24H35O2 YHGJECVSSKXFCJ-SFGLVEFQSA-M +BMDB13036 88.088815006 1-Pentanol C5H12O AMQJEAYHLZJPGS-UHFFFAOYSA-N +BMDB13127 247.141972787 Hydroxybutyrylcarnitine C11H21NO5 UEFRDQSMQXDWTO-GKAPJAKFSA-N +BMDB13128 245.162708229 Valerylcarnitine C12H23NO4 VSNFQQXVMPSASB-JTQLQIEISA-N +BMDB13326 341.256608611 trans-2-Dodecenoylcarnitine C19H35NO4 JEOZLTJHDSKQIT-CLVCIHKQSA-N +BMDB13341 691.551590367 PC(o-14:0/16:0) C38H78NO7P BYMZZQJJOHDZOU-DIPNUNPCSA-N +BMDB13404 717.567240431 PC(o-16:0/16:1(9Z)) C40H80NO7P HJVQHTGUAIETCQ-VEAYGOGPSA-N +BMDB13405 747.614190623 PC(o-16:0/18:0) C42H86NO7P PXPSGTINXJQLBR-VQJSHJPSSA-N +BMDB13406 775.645490751 PC(o-16:0/20:0) C44H90NO7P QFZSBLJYDQLBAG-VZUYHUTRSA-N +BMDB13408 803.676790879 PC(o-16:0/22:0) C46H94NO7P BIIIEBBIUJYGBZ-WBVITSLISA-N +BMDB13412 745.598540559 PC(o-16:1(9Z)/18:0) C42H84NO7P SVSLBZPEDBYFGG-HVLKLTLRSA-N +BMDB13413 741.567240431 PC(o-16:1(9Z)/18:2(9Z,12Z)) C42H80NO7P AXCLECQLCBWNLZ-KZZBVOOISA-N +BMDB13414 773.629840687 PC(o-16:1(9Z)/20:0) C44H88NO7P NEMVGIRAGVGOLH-RPBJOJELSA-N +BMDB13417 775.645490751 PC(o-18:0/18:0) C44H90NO7P BKEDGKIMIUGHDV-VZUYHUTRSA-N +BMDB13418 771.614190623 PC(o-18:0/18:2(9Z,12Z)) C44H86NO7P LMGTVCKIUNTOEP-HJTCUGKVSA-N +BMDB13419 803.676790879 PC(o-18:0/20:0) C46H94NO7P BVCZSMAYNCVQDT-WBVITSLISA-N +BMDB13422 819.614190623 PC(o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H86NO7P QBZALASVZLFAHF-KYPHJRDXSA-N +BMDB13426 745.598540559 PC(o-18:1(9Z)/16:0) C42H84NO7P IQLHTKSHLGLPMG-HFWGUVFESA-N +BMDB13429 769.598540559 PC(o-18:1(9Z)/18:2(9Z,12Z)) C44H84NO7P MFZLAZYUXHHSIA-HVODBARTSA-N +BMDB13434 857.723741071 PC(o-18:1(9Z)/24:0) C50H100NO7P BSQIZOZBOXYNEW-WIEGMJJDSA-N +BMDB13435 767.582890495 PC(o-18:2(9Z,12Z)/18:2(9Z,12Z)) C44H82NO7P XCCONPVPHCCYNF-KPFPPAHTSA-N +BMDB13439 797.629840687 PC(o-20:0/18:3(6Z,9Z,12Z)) C46H88NO7P XHKFHCCQLHPBPZ-WKDUQDSSSA-N +BMDB13440 797.629840687 PC(o-20:0/18:3(9Z,12Z,15Z)) C46H88NO7P APWUUZRAVVATRC-GBRUYZQDSA-N +BMDB13447 857.723741071 PC(o-22:0/20:1(11Z)) C50H100NO7P XKPLZICHJPNOFR-WIEGMJJDSA-N +BMDB13453 879.708091007 PC(o-22:1(13Z)/22:3(10Z,13Z,16Z)) C52H98NO7P ADCPDRAGQLKVRI-DFPONBFASA-N +BMDB13455 879.708091007 PC(o-22:2(13Z,16Z)/22:2(13Z,16Z)) C52H98NO7P GCAMFMBVIXVYSA-VIVKCUGUSA-N +BMDB13460 879.708091007 PC(o-24:0/20:4(8Z,11Z,14Z,17Z)) C52H98NO7P AQJDGYZOTXPNFY-ZFRXABNDSA-N +BMDB13667 88.905847902 Yttrium Y VWQVUPCCIRVNHF-UHFFFAOYSA-N +BMDB13669 132.90544687 Cesium Cs TVFDJXOCXUVLDH-UHFFFAOYSA-N +BMDB13670 105.903483087 Palladium Pd KDLHZDBZIXYQEI-UHFFFAOYSA-N +BMDB13672 139.905434035 Cerium Ce GWXLDORMOJMVQZ-UHFFFAOYSA-N +BMDB13711 Lanthanum (H2O)nC3La2O9 AFCUGQOTNCVYSW-UHFFFAOYSA-H +BMDB13715 141.907718643 Neodymium Nd QEFYFXOXNSNQGX-UHFFFAOYSA-N +BMDB13719 186.955750787 Rhenium Re WUAPFZMCVAUBPE-UHFFFAOYSA-N +BMDB13724 239.943264977 Thallium ClTl GBECUEIQVRDUKB-UHFFFAOYSA-M +BMDB13780 125.963162262 "Dimethyl trisulfide" C2H6S3 YWHLKYXPLRWGSE-UHFFFAOYSA-N +BMDB14273 176.032087988 "Vitamin C" C6H8O6 CIWBSHSKHKDKBQ-JLAZNSOCSA-N +BMDB30028 130.099379692 "Ethyl isovalerate" C7H14O2 PPXUHEORWJQRHJ-UHFFFAOYSA-N +BMDB30058 102.068079564 "Ethyl propionate" C5H10O2 FKRCODPIKNYEAC-UHFFFAOYSA-N +BMDB30962 278.224580204 "Calendic acid" C18H30O2 DQGMPXYVZZCNDQ-KBPWROHVSA-N +BMDB31003 170.13067982 "9-Decenoic acid" C10H18O2 KHAVLLBUVKBTBG-UHFFFAOYSA-N +BMDB31206 86.073164942 Pentanal C5H10O HGBOYTHUEUWSSQ-UHFFFAOYSA-N +BMDB31217 88.0524295 "Ethyl acetate" C4H8O2 XEKOWRVHYACXOJ-UHFFFAOYSA-N +BMDB31243 72.057514878 2-Methylpropanal C4H8O AMIMRNSIRUDHCM-UHFFFAOYSA-N +BMDB31475 114.10446507 Heptanal C7H14O FXHGMKSSBGDXIY-UHFFFAOYSA-N +BMDB31511 116.083729628 "Diacetone alcohol" C6H12O2 SWXVUIWOUIDPGS-UHFFFAOYSA-N +BMDB31523 74.036779436 "Methyl acetate" C3H6O2 KXKVLQRXCPHEJC-UHFFFAOYSA-N +BMDB31526 86.073164942 (±)-2-Methylbutanal C5H10O BYGQBDHUGHBGMD-UHFFFAOYSA-N +BMDB31527 88.088815006 (S)-2-Methyl-1-butanol C5H12O QPRQEDXDYOZYLA-UHFFFAOYSA-N +BMDB31599 88.088815006 2-Pentanol C5H12O JYVLIDXNZAXMDK-UHFFFAOYSA-N +BMDB31605 86.073164942 1-Penten-3-ol C5H10O VHVMXWZXFBOANQ-UHFFFAOYSA-N +BMDB32449 112.125200512 1-Octene C8H16 KWKAKUADMBZCLK-UHFFFAOYSA-N +BMDB33890 102.068079564 "Methyl butyrate" C5H10O2 UUIQMZJEGPQKFD-UHFFFAOYSA-N +BMDB33908 116.120115134 (±)-2-Heptanol C7H16O CETWDUZRCINIHU-UHFFFAOYSA-N +BMDB34168 92.062600256 Toluene C7H8 YXFVVABEGXRONW-UHFFFAOYSA-N +BMDB34235 86.073164942 2-Pentanone C5H10O XNLICIUVMPYHGG-UHFFFAOYSA-N +BMDB34729 96.057514878 (E,E)-2,4-Hexadienal C6H8O BATOPAZDIZEVQF-IAROGAJJSA-N +BMDB35658 136.125200512 (-)-alpha-Pinene C10H16 GRWFGVWFFZKLTI-IUCAKERBSA-N +BMDB35915 126.10446507 Sulcatone C8H14O UHEPJGULSIKKTP-UHFFFAOYSA-N +BMDB36574 75.94414138 "Carbon disulfide" CS2 QGJOPFRUJISHPQ-UHFFFAOYSA-N +BMDB40253 88.0524295 "Propyl formate" C4H8O2 KFNNIILCVOLYIR-UHFFFAOYSA-N +BMDB40327 116.083729628 "Pentyl formate" C6H12O2 DIQMPQMYFZXDAX-UHFFFAOYSA-N +BMDB59835 142.135765198 Nonanal C9H18O GYHFUZHODSMOHU-UHFFFAOYSA-N +BMDB60038 268.240230268 "10Z-Heptadecenoic acid" C17H32O2 GDTXICBNEOEPAZ-FPLPWBNLSA-N +BMDB60039 306.255880332 "11,14,17-Eicosatrienoic acid" C20H34O2 AHANXAKGNAKFSK-PDBXOOCHSA-N +BMDB60102 304.240230268 Arachidonate C20H32O2 YZXBAPSDXZZRGB-DOFZRALJSA-N +BMDB61883 116.083729628 "Caproate (6:0)" C6H12O2 FUZZWVXGSFPDMH-UHFFFAOYSA-N +BMDB61885 86.109550448 3-Methylpentane C6H14 PFEOZHBOMNWTJB-UHFFFAOYSA-N +BMDB62034 100.088815006 3-Methyl-2-pentanone C6H12O UIHCLUNTQKBZGK-UHFFFAOYSA-N +BMDB62036 82.041864813 3-Methylfuran C5H6O KJRRQXYWFQKJIP-UHFFFAOYSA-N +BMDB62037 122.036779433 "Benzoic acid" C7H6O2 WPYMKLBDIGXBTP-UHFFFAOYSA-N +BMDB62038 150.104465071 Thymol C10H14O MGSRCZKZVOBKFT-UHFFFAOYSA-N +BMDB62039 118.074227574 "2,4-Diaminobutyric acid" C4H10N2O2 OGNSCSPNOLGXSM-UHFFFAOYSA-N +BMDB62040 425.350508997 Oleoylcarnitine C25H47NO4 ASTZXVSQSSBFOS-FRHQNKJESA-N +BMDB62041 385.113782505 Phosphatidylserine C13H24NO10P UNJJBGNPUUVVFQ-ZJUUUORDSA-N +BMDB62042 102.042927446 Cycloserine C3H6N2O2 DYDCUQKUCUHJBH-UWTATZPHSA-N +BMDB62043 138.008195224 Fosfomycin C3H7O4P YMDXZJFXQJVXBF-STHAYSLISA-N +BMDB62044 103.03951909 "Gamma Hydroxybutyric Acid" C4H7O3 SJZRECIVHVDYJC-UHFFFAOYSA-M +BMDB62045 182.999013721 Saccharin C7H5NO3S CVHZOJJKTDOEJC-UHFFFAOYSA-N +BMDB62046 270.255880332 "(S)-14-Methylhexadecanoic acid" C17H34O2 FXUKWLSZZHVEJD-UHFFFAOYSA-N +BMDB62047 256.240230268 "Isopalmitic acid" C16H32O2 ZONJATNKKGGVSU-UHFFFAOYSA-N +BMDB62048 228.20893014 "12-Methyltridecanoic acid" C14H28O2 YYVJAABUJYRQJO-UHFFFAOYSA-N +BMDB62049 198.161979948 "11-Dodecenoic acid" C12H22O2 GZZPOFFXKUVNSW-UHFFFAOYSA-N +BMDB62050 143.040484605 5-(2-Hydroxyethyl)-4-methylthiazole C6H9NOS BKAWJIRCKVUVED-UHFFFAOYSA-N +BMDB62051 107.073499293 Benzylamine C7H9N WGQKYBSKWIADBV-UHFFFAOYSA-N +BMDB62052 344.13186161 Lactitol C12H24O11 VQHSOMBJVWLPSR-UHFFFAOYSA-N +BMDB62053 193.025242271 Phosphocreatinine C4H8N3O4P HIPLEPXPNLWKCQ-UHFFFAOYSA-N +BMDB62054 342.116211546 beta-Lactose C12H22O11 GUBGYTABKSRVRQ-DCSYEGIMSA-N +BMDB62055 148.037173366 2-Hydroxyglutarate C5H8O5 HWXBTNAVRSUOJR-UHFFFAOYSA-N +BMDB62056 747.577805117 Phosphatidylethanolamine C41H82NO8P LVNGJLRDBYCPGB-KDXMTYKHSA-N +BMDB62057 162.052823422 1,2-diacylglycerol C6H10O5 OTBZCXAQBQMYNZ-LURJTMIESA-N +BMDB62058 242.224580204 "13-Methylmyristic acid" C15H30O2 ZOCYQVNGROEVLU-UHFFFAOYSA-N +BMDB62059 722.642440484 TG(14:0/14:0/14:0) C45H86O6 DUXYWXYOBMKGIN-UHFFFAOYSA-N +BMDB62060 778.70504074 TG(14:0/16:0/16:0) C49H94O6 JWVXCFSNEOMSHH-UHFFFAOYSA-N +BMDB62061 806.736340868 TG(14:0/16:0/18:0) C51H98O6 JTDPHURHZMZJHD-UHFFFAOYSA-N +BMDB62063 816.720690804 TG(14:0/16:0/18:2(9Z,12Z)) C52H96O6 SMQJAQBNDKFBQX-UCARQTEQSA-N +BMDB62064 802.70504074 TG(14:0/16:1(9Z)/18:1(9Z)) C51H94O6 QABWZGMVIDDGGI-WYERXJFXSA-N +BMDB62065 834.767640996 TG(14:0/18:0/18:0) C53H102O6 RDVFJKJMACSAJD-UHFFFAOYSA-N +BMDB62068 820.751990932 TG(15:0/16:0/18:0) C52H100O6 BABSZGMYWGFHOB-UHFFFAOYSA-N +BMDB62069 790.70504074 TG(16:0/15:0/16:1(9Z)) C50H94O6 PMHPAVPAGLAMOD-QOCHGBHMSA-N +BMDB62071 804.720690804 TG(16:0/14:1(9Z)/18:0) C51H96O6 FTSVKEQEERVOIA-SDXDJHTJSA-N +BMDB62075 862.798941124 TG(18:0/16:0/18:0) C55H106O6 ZGVGTPFSVCXVNJ-UHFFFAOYSA-N +BMDB62076 860.78329106 TG(18:0/16:0/18:1(9Z)) C55H104O6 WRXCJQWYSUUELD-RFBIWTDZSA-N +BMDB62077 282.255880335 "cis-13-Octadecenoic acid " C18H34O2 BDLLSHRIFPDGQB-UHFFFAOYSA-N +BMDB62079 858.767640996 TG(18:1(9Z)/16:0/18:1(9Z)) C55H102O6 PPTGNVIVNZLPPS-LBXGSASVSA-N +BMDB62083 268.240230268 "(Z)-9-Heptadecenoic acid" C17H32O2 QSBYPNXLFMSGKH-CMDGGOBGSA-N +BMDB62084 778.70504074 TG(14:0/14:0/18:0) C49H94O6 YQLXPOXDXQWEKE-UHFFFAOYSA-N +BMDB62085 806.736340868 TG(14:0/14:0/20:0) C51H98O6 ZARHKOGIOAZUIC-UHFFFAOYSA-N +BMDB62086 170.13067982 "3-Decenoic acid" C10H18O2 CPVUNKGURQKKKX-FPLPWBNLSA-N +BMDB62088 834.767640996 TG(14:0/16:0/20:0) C53H102O6 VGEMNMJCWPDGJU-UHFFFAOYSA-N +BMDB62089 242.224580206 "(+)-12-Methyltetradecanoic acid" C15H30O2 XKLJLHAPJBUBNL-UHFFFAOYSA-N +BMDB62090 568.506675286 1,2-Dipalmitoylglycerol C35H68O5 JEJLGIQLPYYGEE-UHFFFAOYSA-N +BMDB62091 214.193280077 "11-Methyldodecanoic acid" C13H26O2 SIOLDWZBFABPJU-UHFFFAOYSA-N +BMDB62092 270.255880335 "15-Methylhexadecanoic acid" C17H34O2 IIUXHTGBZYEGHI-UHFFFAOYSA-N +BMDB62093 151.063328537 "4-(Methylamino)benzoic acid" C8H9NO2 ZVIDMSBTYRSMAR-UHFFFAOYSA-N +BMDB62094 272.089602866 4-Hydroxyphenyl-beta-glucopyranoside C12H16O7 BJRNKVDFDLYUGJ-RMPHRYRLSA-N +BMDB62095 144.089877638 Adipamide C6H12N2O2 GVNWZKBFMFUVNX-UHFFFAOYSA-N +BMDB62096 342.116211546 beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose C12H22O11 WOHYVFWWTVNXTP-IYDDCBTQSA-N +BMDB62097 282.255880332 "cis-11-Octadecenoic acid" C18H34O2 UWHZIFQPPBDJPM-FPLPWBNLSA-N +BMDB62098 282.255880335 "cis-12-Octadecenoic acid" C18H34O2 OXEDXHIBHVMDST-SREVYHEPSA-N +BMDB62099 282.255880335 "cis-15-Octadecenoic acid" C18H34O2 KSIKGJKZYDOVFA-UHFFFAOYSA-N +BMDB62100 292.090665498 "Ethylenediaminetetraacetic acid" C10H16N2O8 KCXVZYZYPLLWCC-UHFFFAOYSA-N +BMDB62101 232.154334613 Isobutyrylcarnitine C11H22NO4 LRCNOZRCYBNMEP-SECBINFHSA-O +BMDB62102 194.07903818 "Methyl alpha-D-glucopyranoside" C7H14O6 HOVAGTYPODGVJG-ZFYZTMLRSA-N +BMDB62103 293.111066589 "N-acetyl-Muramic acid" C11H19NO8 MNLRQHMNZILYPY-MKFCKLDKSA-N +BMDB62104 342.116211528 Sophorose C12H22O11 HIWPGCMGAMJNRG-NCFXGAEVSA-N +BMDB62105 282.255880332 "trans-10 Octadecenoic acid" C18H34O2 QXJSBBXBKPUZAA-CMDGGOBGSA-N +BMDB62106 282.255880335 "trans-12-Octadecenoic acid" C18H34O2 OXEDXHIBHVMDST-VOTSOKGWSA-N +BMDB62107 282.255880332 "trans-13-Octadecenoic acid" C18H34O2 BDLLSHRIFPDGQB-AATRIKPKSA-N +BMDB62108 282.255880335 "trans-14-Octadecenoic acid" C18H34O2 JQBJOWDLTJOBRO-SNAWJCMRSA-N +BMDB62109 282.255880335 "trans-15-Octadecenoic acid" C18H34O2 KSIKGJKZYDOVFA-ONEGZZNKSA-N +BMDB62110 282.255880335 "trans-16-Octadecenoic acid" C18H34O2 DPUHOWDIWWPPIP-NSCUHMNNSA-N +BMDB62111 282.255880335 "trans-4-Octadecenoic acid" C18H34O2 OBNDIDKDLXSSCB-CCEZHUSRSA-N +BMDB62112 282.255880335 "trans-5-Octadecenoic acid" C18H34O2 AQWHMKSIVLSRNY-BUHFOSPRSA-N +BMDB62113 282.255880332 "trans-6-Octadecenoic acid" C18H34O2 CNVZJPUDSLNTQU-OUKQBFOZSA-N +BMDB62114 282.255880332 "trans-7-Octadecenoic acid" C18H34O2 RVUCYJXFCAVHNC-VAWYXSNFSA-N +BMDB62115 282.255880335 "trans-8-Octadecenoic acid" C18H34O2 WRIDQFICGBMAFQ-ZHACJKMWSA-N +BMDB62116 178.062994186 trans-Coniferylaldehyde C10H10O3 DKZBBWMURDFHNE-NSCUHMNNSA-N +BMDB62117 166.062994186 "Tropic acid" C9H10O3 JACRWUWPXAESPB-UHFFFAOYSA-N +BMDB62118 390.152597052 Loganin C17H26O10 AMBQHHVBBHTQBF-UOUCRYGSSA-N +BMDB62119 180.063388106 Talose C6H12O6 WQZGKKKJIJFFOK-WHZQZERISA-N +BMDB62120 1852.966985582 "Disialoganglioside Ib" C84H148N4O40 VPUOVUBYFYUBRY-INNWTUFDSA-N +BMDB62121 1545.87665445 "Monosialoganglioside GM1" C73H131N3O31 QPJBWNIQKHGLAU-BVLUPYCXSA-N +BMDB62122 1397.839481093 "Monosialoganglioside GM2" C68H123N3O26 USMMPBVNWHAJBE-YMEOXFOQSA-N +BMDB62123 1262.822708828 "Monosialoganglioside GM3" C65H118N2O21 PFJKOHUKELZMLE-VEUXDRLPSA-N +BMDB62124 582.485939845 TG(14:0/14:0/4:0) C35H66O6 CPUBTQNPGNMTLT-UHFFFAOYSA-N +BMDB62125 610.517239974 TG(14:0/14:0/6:0) C37H70O6 RLJXXZJSIPCFFV-UHFFFAOYSA-N +BMDB62126 610.517239974 TG(14:0/16:0/4:0) C37H70O6 SQKOCYHMNMIISZ-UHFFFAOYSA-N +BMDB62127 638.548540103 TG(14:0/16:0/6:0) C39H74O6 DWIUNYGOSZKHPJ-UHFFFAOYSA-N +BMDB62128 554.454639716 TG(16:0/10:0/4:0) C33H62O6 NMPTUNQSGSBSHZ-UHFFFAOYSA-N +BMDB62129 582.485939845 TG(16:0/10:0/6:0) C35H66O6 QKLBUEWDUVXZCS-UHFFFAOYSA-N +BMDB62130 582.485939845 TG(16:0/12:0/4:0) C35H66O6 DNRWLLOQTTWJKS-UHFFFAOYSA-N +BMDB62131 610.517239974 TG(16:0/12:0/6:0) C37H70O6 OGVRYRODVYXWHK-UHFFFAOYSA-N +BMDB62132 694.61114036 TG(16:0/14:0/10:0) C43H82O6 SMIGULGEODNQEX-UHFFFAOYSA-N +BMDB62133 750.673740612 TG(16:0/14:0/14:0) C47H90O6 AMXRERGJDVUTMF-UHFFFAOYSA-N +BMDB62134 610.517239974 TG(16:0/14:0/4:0) C37H70O6 ZRSCOWDQAGAMTK-UHFFFAOYSA-N +BMDB62135 638.548540103 TG(16:0/14:0/6:0) C39H74O6 CRYHRFJZXLSNCF-UHFFFAOYSA-N +BMDB62136 722.642440489 TG(16:0/16:0/10:0) C45H86O6 WBURFJXMBPWRIG-UHFFFAOYSA-N +BMDB62137 750.673740618 TG(16:0/16:0/12:0) C47H90O6 ZCHDZACIKMGEJU-UHFFFAOYSA-N +BMDB62138 778.70504074 TG(16:0/16:0/14:0) C49H94O6 JWVXCFSNEOMSHH-UHFFFAOYSA-N +BMDB62139 638.548540103 TG(16:0/16:0/4:0) C39H74O6 SPNPZKFZBBJGJK-UHFFFAOYSA-N +BMDB62140 666.579840232 TG(16:0/16:0/6:0) C41H78O6 SAYUNMDZOOEJHF-UHFFFAOYSA-N +BMDB62141 694.61114036 TG(16:0/16:0/8:0) C43H82O6 RFWJYKONNDGWCW-UHFFFAOYSA-N +BMDB62142 666.579840232 TG(16:0/18:0/4:0) C41H78O6 QDICJGWYEVKHJA-UHFFFAOYSA-N +BMDB62143 638.548540103 TG(18:0/14:0/4:0) C39H74O6 GNPZHHYWFFYGOF-UHFFFAOYSA-N +BMDB62144 666.579840232 TG(18:0/14:0/6:0) C41H78O6 BYIJSVHOFIDXCL-UHFFFAOYSA-N +BMDB62145 666.579840232 TG(18:0/16:0/4:0) C41H78O6 MSBNBDZZIPTJCP-UHFFFAOYSA-N +BMDB62146 694.61114036 TG(18:0/16:0/6:0) C43H82O6 NJJSVYBVDBGZKT-UHFFFAOYSA-N +BMDB62147 214.193280077 "(+)-10-Methyldodecanoic acid" C13H26O2 YETWOCQNUTWSQA-UHFFFAOYSA-N +BMDB62148 280.24023027 "trans-11,cis-15-Octadecadienoic acid" C18H32O2 HHELYEVVXBEXIZ-ODYTWBPASA-N +BMDB62149 280.24023027 "12E, 14E-Octadecadienoic acid" C18H32O2 NLGIQISOWDWGRJ-YTXTXJHMSA-N +BMDB62150 280.24023027 "11E, 13E-Octadecadienoic acid" C18H32O2 JGFMXQLVWUGIPI-BSWSSELBSA-N +BMDB62151 280.24023027 "10E, 12E-Octadecadienoic acid" C18H32O2 GKJZMAHZJGSBKD-BLHCBFLLSA-N +BMDB62152 280.24023027 "8E, 10E-Octadecadienoic acid" C18H32O2 QJKCKUNKNNYJNS-BNFZFUHLSA-N +BMDB62153 280.24023027 "7E, 9E-Octadecadienoic acid" C18H32O2 HACBQSMIIGXKGA-HULFFUFUSA-N +BMDB62154 526.423339588 TG(6:0/8:0/14:0) C31H58O6 HMYXRAROFDYZSY-UHFFFAOYSA-N +BMDB62155 526.423339588 TG(4:0/8:0/16:0) C31H58O6 DQSUYNONXLJKFQ-UHFFFAOYSA-N +BMDB62156 526.423339588 TG(4:0/10:0/14:0) C31H58O6 CZNCEKYZOLXFEW-UHFFFAOYSA-N +BMDB62157 554.454639716 TG(6:0/10:0/14:0) C33H62O6 CTUNPMWDIDEHLG-UHFFFAOYSA-N +BMDB62158 554.454639716 TG(4:0/10:0/16:0) C33H62O6 NMPTUNQSGSBSHZ-UHFFFAOYSA-N +BMDB62159 554.454639716 TG(4:0/12:0/14:0) C33H62O6 SPIIOGCAPPVNDU-UHFFFAOYSA-N +BMDB62160 582.485939845 TG(10:0/16:0/6:0) C35H66O6 CBCAPZYHHAJWQD-UHFFFAOYSA-N +BMDB62161 582.485939845 TG(6:0/12:0/14:0) C35H66O6 XTWZFTFRQTXTLI-UHFFFAOYSA-N +BMDB62162 582.485939845 TG(4:0/12:0/16:0) C35H66O6 DNRWLLOQTTWJKS-UHFFFAOYSA-N +BMDB62163 582.485939845 TG(4:0/14:0/14:0) C35H66O6 CPUBTQNPGNMTLT-UHFFFAOYSA-N +BMDB62164 596.50158991 TG(4:0/14:0/15:0) C36H68O6 JMGKZUFRLWPSBP-UHFFFAOYSA-N +BMDB62165 610.517239974 TG(6:0/12:0/16:0) C37H70O6 OGVRYRODVYXWHK-UHFFFAOYSA-N +BMDB62166 610.517239974 TG(6:0/14:0/14:0) C37H70O6 RLJXXZJSIPCFFV-UHFFFAOYSA-N +BMDB62167 610.517239974 TG(8:0/12:0/14:0) C37H70O6 RJHHICMBDSUIHF-UHFFFAOYSA-N +BMDB62168 610.517239974 TG(4:0/14:0/16:0) C37H70O6 ZRSCOWDQAGAMTK-UHFFFAOYSA-N +BMDB62169 624.532890038 TG(4:0/15:0/16:0) C38H72O6 PCDSPVRPORJHDW-UHFFFAOYSA-N +BMDB62170 638.548540103 TG(6:0/14:0/16:0) C39H74O6 CRYHRFJZXLSNCF-UHFFFAOYSA-N +BMDB62171 638.548540103 TG(4:0/14:0/18:0) C39H74O6 GNPZHHYWFFYGOF-UHFFFAOYSA-N +BMDB62172 638.548540103 TG(4:0/17:0/15:0) C39H74O6 CYIZPZFVFXXNAW-UHFFFAOYSA-N +BMDB62173 638.548540103 TG(4:0/16:0/16:0) C39H74O6 SPNPZKFZBBJGJK-UHFFFAOYSA-N +BMDB62174 652.564190167 TG(4:0/15:0/18:0) C40H76O6 SORNCPQAUOVNGB-UHFFFAOYSA-N +BMDB62175 652.564190167 TG(4:0/16:0/17:0) C40H76O6 VJWVCPAYJXNGCJ-UHFFFAOYSA-N +BMDB62176 666.579840232 TG(6:0/16:0/16:0) C41H78O6 SAYUNMDZOOEJHF-UHFFFAOYSA-N +BMDB62177 666.579840232 TG(8:0/14:0/16:0) C41H78O6 LONDUFXOLIQUKZ-UHFFFAOYSA-N +BMDB62178 666.579840232 TG(10:0/14:0/14:0) C41H78O6 OECYYRPLQTZAGN-UHFFFAOYSA-N +BMDB62179 666.579840232 TG(12:0/12:0/14:0) C41H78O6 SMUUMIRCIBXLGI-LHEWISCISA-N +BMDB62180 666.579840232 TG(4:0/16:0/18:0) C41H78O6 MSBNBDZZIPTJCP-UHFFFAOYSA-N +BMDB62181 694.61114036 TG(6:0/16:0/18:0) C43H82O6 NJJSVYBVDBGZKT-UHFFFAOYSA-N +BMDB62182 694.61114036 TG(8:0/16:0/16:0) C43H82O6 RFWJYKONNDGWCW-UHFFFAOYSA-N +BMDB62183 694.61114036 TG(10:0/16:0/14:0) C43H82O6 ZBYLOVWUEAWMBM-UHFFFAOYSA-N +BMDB62184 694.61114036 TG(12:0/14:0/14:0) C43H82O6 UGBCBXMLXHJYBS-FAIXQHPJSA-N +BMDB62185 694.61114036 TG(4:0/18:0/18:0) C43H82O6 XFFRLQGZYVVLQI-UHFFFAOYSA-N +BMDB62186 722.642440489 TG(6:0/16:0/20:0) C45H86O6 DFKKDPLHBBTFFO-UHFFFAOYSA-N +BMDB62187 722.642440489 TG(6:0/18:0/18:0) C45H86O6 WZPUIXJVKWWFBH-UHFFFAOYSA-N +BMDB62188 722.642440489 TG(8:0/16:0/18:0) C45H86O6 SXRIIQRGPQMOSV-UHFFFAOYSA-N +BMDB62189 722.642440489 TG(10:0/16:0/16:0) C45H86O6 WBURFJXMBPWRIG-UHFFFAOYSA-N +BMDB62190 722.642440489 TG(12:0/14:0/16:0) C45H86O6 PGZSAELMQZLYOA-WBCKFURZSA-N +BMDB62191 778.705040747 TG(12:0/14:0/20:0) C49H94O6 FNKDFKYDCKFOPA-UHFFFAOYSA-N +BMDB62192 778.705040747 TG(12:0/16:0/18:0) C49H94O6 HBNALZRPCNRSPZ-YACUFSJGSA-N +BMDB62193 820.75199094 TG(14:0/17:0/18:0) C52H100O6 DIMXBKATFQGNNF-UHFFFAOYSA-N +BMDB62194 192.02700261 "Glucaric acid-1,4-lactone" C6H8O7 XECPAIJNBXCOBO-MMPJQOAZSA-N +BMDB62195 194.07903818 "Methyl beta-D-glucopyranoside" C7H14O6 HOVAGTYPODGVJG-VOQCIKJUSA-N +BMDB62196 224.141244504 "Methyl jasmonate" C13H20O3 GEWDNTWNSAZUDX-XXJOZFEBSA-N +BMDB62197 213.100107973 "N-(2-Oxohexanoyl)homoserine lactone" C10H15NO4 HXDSMMVKIYAMIA-ZETCQYMHSA-N +BMDB62204 336.057837322 "Thiamine hydrochloride" C12H18Cl2N4OS DPJRMOMPQZCRJU-UHFFFAOYSA-M +BMDB62205 310.287180464 "Gadoleic acid" C20H38O2 LQJBNNIYVWPHFW-QXMHVHEDSA-N +BMDB62210 94.041864814 Phenol C6H6O ISWSIDIOOBJBQZ-UHFFFAOYSA-N +BMDB62211 168.042258738 "Vanillic acid" C8H8O4 WKOLLVMJNQIZCI-UHFFFAOYSA-N +BMDB62212 138.031694053 "Salicylic acid" C7H6O3 YGSDEFSMJLZEOE-UHFFFAOYSA-N +BMDB62213 135.035399227 Methylcysteine C4H9NO2S IDIDJDIHTAOVLG-VKHMYHEASA-N +BMDB62214 136.0524295 "2-Methylbenzoic acid" C8H8O2 ZWLPBLYKEWSWPD-UHFFFAOYSA-N +BMDB62215 120.042258744 Erythrose C4H8O4 FMAORJIQYMIRHF-HERZVMAMSA-N +BMDB62216 229.088497429 Ergothioneine C9H15N3O2S SSISHJJTAXXQAX-ZETCQYMHSA-N +BMDB62217 244.08479226 Indolylacryloylglycine C13H12N2O3 DUIFVCFSAWHIOD-AATRIKPKSA-N +BMDB62218 187.120843415 N-Heptanoylglycine C9H17NO3 RNFCYFVPNIXAHP-UHFFFAOYSA-N +BMDB62219 230.212004145 Capryloylcholine C13H28NO2 AKYPZHWYYXDGEW-UHFFFAOYSA-N +BMDB62221 204.074621504 "Alanyl-Aspartic acid" C7H12N2O5 XAEWTDMGFGHWFK-UHFFFAOYSA-N +BMDB62222 226.106590334 Alanyl-Histidine C9H14N4O3 XZWXFWBHYRFLEF-UHFFFAOYSA-N +BMDB62223 186.100442324 Alanyl-Proline C8H14N2O3 WPWUFUBLGADILS-UHFFFAOYSA-N +BMDB62224 252.11100701 Alanyl-Tyrosine C12H16N2O4 ALZVPLKYDKJKQU-UHFFFAOYSA-N +BMDB62225 277.120860189 Arginyl-Cysteine C9H19N5O3S OSASDIVHOSJVII-UHFFFAOYSA-N +BMDB62226 263.093976737 Asparaginyl-Methionine C9H17N3O4S IQTUDDBANZYMAR-UHFFFAOYSA-N +BMDB62227 289.138618743 Aspartyl-Arginine C10H19N5O5 PSZNHSNIGMJYOZ-UHFFFAOYSA-N +BMDB62228 232.105921632 Aspartyl-Valine C9H16N2O5 CPMKYMGGYUFOHS-UHFFFAOYSA-N +BMDB62229 235.062676609 Cysteinyl-Asparagine C7H13N3O4S AYKQJQVWUYEZNU-UHFFFAOYSA-N +BMDB62230 208.051777572 Cysteinyl-Serine C6H12N2O4S YXQDRIRSAHTJKM-UHFFFAOYSA-N +BMDB62231 283.128054047 Glutaminylhistidine C11H17N5O4 JZOYFBPIEHCDFV-YUMQZZPRSA-N +BMDB62232 274.164105204 Glutaminyllysine C11H22N4O4 CLSDNFWKGFJIBZ-YUMQZZPRSA-N +BMDB62233 293.137556104 Glutaminylphenylalanine C14H19N3O4 VHLZDSUANXBJHW-QWRGUYRKSA-N +BMDB62234 231.133139435 Glycyl-Arginine C8H17N5O3 JLXVRFDTDUGQEE-UHFFFAOYSA-N +BMDB62235 222.100442324 Glycyl-Phenylalanine C11H14N2O3 JBCLFWXMTIKCCB-UHFFFAOYSA-N +BMDB62236 162.064056818 Glycyl-Serine C5H10N2O4 BCCRXDTUTZHDEU-UHFFFAOYSA-N +BMDB62237 238.095356946 Glycyl-Tyrosine C11H14N2O4 XBGGUPMXALFZOT-UHFFFAOYSA-N +BMDB62238 269.112403993 Histidinyl-Asparagine C10H15N5O4 WSDOHRLQDGAOGU-UHFFFAOYSA-N +BMDB62239 258.078661024 Histidinyl-Cysteine C9H14N4O3S MAJYPBAJPNUFPV-UHFFFAOYSA-N +BMDB62240 252.122240398 Histidinyl-Proline C11H16N4O3 LNCFUHAPNTYMJB-UHFFFAOYSA-N +BMDB62241 341.148789499 Histidinyl-Tryptophan C17H19N5O3 FBTYOQIYBULKEH-UHFFFAOYSA-N +BMDB62242 254.137890462 Histidinyl-Valine C11H18N4O3 VLDVBZICYBVQHB-UHFFFAOYSA-N +BMDB62243 202.131742452 Leucyl-Alanine C9H18N2O3 HSQGMTRYSIHDAC-UHFFFAOYSA-N +BMDB62244 246.121571696 Leucyl-Aspartate C10H18N2O5 DVCSNHXRZUVYAM-UHFFFAOYSA-N +BMDB62245 244.178692644 Leucyl-Leucine C12H24N2O3 LCPYQJIKPJDLLB-UHFFFAOYSA-N +BMDB62246 218.126657074 Leucyl-Serine C9H18N2O4 XGDCYUQSFDQISZ-UHFFFAOYSA-N +BMDB62247 317.173941617 Leucyl-Tryptophan C17H23N3O3 BQVUABVGYYSDCJ-UHFFFAOYSA-N +BMDB62248 203.126991425 Lysyl-Glycine C8H17N3O3 HGNRJCINZYHNOU-UHFFFAOYSA-N +BMDB62249 274.200490718 Lysyl-Lysine C12H26N4O3 NVGBPTNZLWRQSY-UHFFFAOYSA-N +BMDB62250 293.173941617 Lysyl-Phenylalanine C15H23N3O3 QCZYYEFXOBKCNQ-UHFFFAOYSA-N +BMDB62251 220.088163078 Methionyl-Alanine C8H16N2O3S JHKXZYLNVJRAAJ-UHFFFAOYSA-N +BMDB62252 263.093976737 Methionyl-Asparagine C9H17N3O4S JMEWFDUAFKVAAT-UHFFFAOYSA-N +BMDB62253 246.103813142 Methionyl-Proline C10H18N2O3S DZMGFGQBRYWJOR-UHFFFAOYSA-N +BMDB62254 236.116092388 Phenylalanyl-Alanine C12H16N2O3 MIDZLCFIAINOQN-UHFFFAOYSA-N +BMDB62255 222.100442324 Phenylalanyl-Glycine C11H14N2O3 GLUBLISJVJFHQS-UHFFFAOYSA-N +BMDB62256 229.106255983 Prolyl-Asparagine C9H15N3O4 JQOHKCDMINQZRV-UHFFFAOYSA-N +BMDB62257 252.122240398 Prolyl-Histidine C11H16N4O3 BEPSGCXDIVACBU-UHFFFAOYSA-N +BMDB62258 236.0830777 Serylmethionine C8H16N2O4S PBUXMVYWOSKHMF-UHFFFAOYSA-N +BMDB62259 291.121906047 Seryltryptophan C14H17N3O4 LZLREEUGSYITMX-UHFFFAOYSA-N +BMDB62260 234.08518619 Threoninyl-Aspartate C8H14N2O6 IOWJRKAVLALBQB-UHFFFAOYSA-N +BMDB62261 305.137556111 Threoninyl-Tryptophan C15H19N3O4 KAFKKRJQHOECGW-UHFFFAOYSA-N +BMDB62262 218.126657074 Threoninyl-Valine C9H18N2O4 CKHWEVXPLJBEOZ-UHFFFAOYSA-N +BMDB62263 360.190988664 Tryptophyl-Arginine C17H24N6O3 LCPVBXOHXMBLFW-UHFFFAOYSA-N +BMDB62264 317.173941617 Tryptophyl-Leucine C17H23N3O3 LYMVXFSTACVOLP-UHFFFAOYSA-N +BMDB62265 294.157957202 Tyrosyl-Leucine C15H22N2O4 AUEJLPRZGVVDNU-UHFFFAOYSA-N +BMDB62266 280.142307138 Tyrosyl-Valine C14H20N2O4 OYOQKMOWUDVWCR-UHFFFAOYSA-N +BMDB62267 273.180089627 Valyl-Arginine C11H23N5O3 IBIDRSSEHFLGSD-UHFFFAOYSA-N +BMDB62268 230.16304258 Valyl-Leucine C11H22N2O3 XCTHZFGSVQBHBW-UHFFFAOYSA-N +BMDB62269 214.131742452 Valyl-Proline C10H18N2O3 GIAZPLMMQOERPN-UHFFFAOYSA-N +BMDB62270 122.073164942 4-Ethylphenol C8H10O HXDOZKJGKXYMEW-UHFFFAOYSA-N +BMDB62271 161.068807845 Acetylhomoserine C6H11NO4 FCXZBWSIAGGPCB-UHFFFAOYSA-N +BMDB62272 162.064056818 L-4-Hydroxyglutamine C5H10N2O4 VTJRNXQBJNWLRA-UHFFFAOYSA-N +BMDB62273 84.093900384 Cyclohexane C6H12 XDTMQSROBMDMFD-UHFFFAOYSA-N +BMDB62274 104.047344122 "Ethoxyacetic acid" C4H8O3 YZGQDNOIGFBYKF-UHFFFAOYSA-N +BMDB62275 142.135765198 3-Nonanone C9H18O IYTXKIXETAELAV-UHFFFAOYSA-N +BMDB62276 138.05032101 "Benzyl methyl sulfide" C8H10S OFQPKKGMNWASPN-UHFFFAOYSA-N +BMDB62277 99.104799421 Cyclohexylamine C6H13N PAFZNILMFXTMIY-UHFFFAOYSA-N +BMDB62278 116.120115134 1-Heptanol C7H16O BBMCTIGTTCKYKF-UHFFFAOYSA-N +BMDB62279 103.063328537 "3-Aminobutanoic acid" C4H9NO2 OQEBBZSWEGYTPG-UHFFFAOYSA-N +BMDB62280 197.080041233 N-Acetylhistidine C8H11N3O3 KBOJOGQFRVVWBH-UHFFFAOYSA-N +BMDB62281 222.110338308 "Isopropyl beta-D-glucoside" C9H18O6 UOEFDXYUEPHESS-UHFFFAOYSA-N +BMDB62282 158.13067982 "Pentyl butanoate" C9H18O2 CFNJLPHOBMVMNS-UHFFFAOYSA-N +BMDB62283 129.057849229 Isoquinoline C9H7N AWJUIBRHMBBTKR-UHFFFAOYSA-N +BMDB62284 85.089149357 Piperidine C5H11N NQRYJNQNLNOLGT-UHFFFAOYSA-N +BMDB62285 197.068807845 N-Hydroxy-l-tyrosine C9H11NO4 CNIUEVQJABPUIJ-UHFFFAOYSA-N +BMDB62287 750.673740618 TG(14:0/14:0/16:0) C47H90O6 AMXRERGJDVUTMF-SJARJILFSA-N +BMDB62288 748.658090554 TG(14:0/14:0/16:1(9Z)) C47H88O6 UZLGGKDLJGDGEY-ZJNAVBKXSA-N +BMDB62289 798.673740618 TG(14:0/14:0/20:4(5Z,8Z,11Z,14Z)) C51H90O6 KIZWKFNHVBOAMA-QXVCXXNRSA-N +BMDB62290 770.642440489 TG(14:0/14:0/18:4(6Z,9Z,12Z,15Z)) C49H86O6 NGZSPVCWAUNMGC-YZZQZZOJSA-N +BMDB62292 750.673740618 TG(14:0/15:0/15:0) C47H90O6 ROBJWPSKKQDYDD-SJARJILFSA-N +BMDB62293 734.642440489 TG(14:0/15:0/14:1(9Z)) C46H86O6 PYWBOTIEOHDIPF-FKFLSBRZSA-N +BMDB62294 790.705040747 TG(14:0/15:0/18:1(9Z)) C50H94O6 LPFCBOFEKLNOFO-BQDYWPKPSA-N +BMDB62295 846.767641004 TG(14:0/15:0/22:1(13Z)) C54H102O6 AHYXNVIQMVRTEC-SQWFITPDSA-N +BMDB62296 750.673740612 TG(14:0/16:0/14:0) C47H90O6 UXWDTZNNQVHGSG-UHFFFAOYSA-N +BMDB62297 748.658090554 TG(14:0/16:0/14:1(9Z)) C47H88O6 LKQZQPJLOPLSMV-HZMXKNRLSA-N +BMDB62298 798.673740618 TG(14:0/16:0/18:4(6Z,9Z,12Z,15Z)) C51H90O6 OERBUNDZQSEJCT-ZQWASXBHSA-N +BMDB62299 734.642440489 TG(14:0/14:1(9Z)/15:0) C46H86O6 KHAUMDGBIRUXME-LNSHZACTSA-N +BMDB62300 748.658090554 TG(14:0/14:1(9Z)/16:0) C47H88O6 JRZPEKVQFIJQHH-CTJRCAHCSA-N +BMDB62302 770.642440489 TG(14:0/14:1(9Z)/18:3(6Z,9Z,12Z)) C49H86O6 QCZQFGBWINSNLX-HXZWHNRWSA-N +BMDB62304 770.642440489 TG(14:0/14:1(9Z)/18:3(9Z,12Z,15Z)) C49H86O6 CIZXNEUTBLZDKD-OZYUBDJZSA-N +BMDB62305 748.658090548 TG(14:0/16:1(9Z)/14:0) C47H88O6 JJUUQTPTIFXQFZ-QOCHGBHMSA-N +BMDB62306 798.673740618 TG(14:0/16:1(9Z)/18:3(6Z,9Z,12Z)) C51H90O6 MBKZQWBNVBZDCB-ISUKPBISSA-N +BMDB62307 798.673740618 TG(14:0/16:1(9Z)/18:3(9Z,12Z,15Z)) C51H90O6 YADAGWFRJZDFQR-NGYNEUHUSA-N +BMDB62309 790.705040747 TG(14:0/18:1(9Z)/15:0) C50H94O6 QWQOHDRXOBOYKI-BQDYWPKPSA-N +BMDB62311 846.767641004 TG(14:0/22:1(13Z)/15:0) C54H102O6 LHQXGAXTQZVWAA-SQWFITPDSA-N +BMDB62312 770.642440489 TG(14:0/18:3(6Z,9Z,12Z)/14:1(9Z)) C49H86O6 ZXIYVSKARHZKFI-JMXIBXGVSA-N +BMDB62313 798.673740618 TG(14:0/18:3(6Z,9Z,12Z)/16:1(9Z)) C51H90O6 XAVJKUHRLWVFLG-ZPDOMMFMSA-N +BMDB62315 798.673740612 TG(14:0/20:4(5Z,8Z,11Z,14Z)/14:0) C51H90O6 WDRRUHMNCUBQST-VUAUWLMFSA-N +BMDB62316 770.642440489 TG(14:0/18:3(9Z,12Z,15Z)/14:1(9Z)) C49H86O6 NWBHQWSBDNIZGS-PJWQHDJPSA-N +BMDB62317 798.673740618 TG(14:0/18:3(9Z,12Z,15Z)/16:1(9Z)) C51H90O6 FAOJWEAKPNBWHR-NGYNEUHUSA-N +BMDB62318 770.642440484 TG(14:0/18:4(6Z,9Z,12Z,15Z)/14:0) C49H86O6 WMFKLVFQRXZMAB-PFBCYAMXSA-N +BMDB62319 798.673740618 TG(14:0/18:4(6Z,9Z,12Z,15Z)/16:0) C51H90O6 OATMICFDINFCGJ-VTBOKXQCSA-N +BMDB62321 750.673740612 TG(15:0/14:0/15:0) C47H90O6 MLEFRDDBNGCWLN-UHFFFAOYSA-N +BMDB62322 734.642440489 TG(15:0/14:0/14:1(9Z)) C46H86O6 ICZGKLJORYWADN-FKFLSBRZSA-N +BMDB62324 790.705040747 TG(15:0/14:0/18:1(9Z)) C50H94O6 QJSQJKZBMJFBNS-BQDYWPKPSA-N +BMDB62325 846.767641004 TG(15:0/14:0/22:1(13Z)) C54H102O6 HWVIZZONLQJAIA-SQWFITPDSA-N +BMDB62326 748.658090554 TG(15:0/15:0/14:1(9Z)) C47H88O6 JLZYFORTRUGDQW-YVCFFHMXSA-N +BMDB62327 798.673740618 TG(15:0/15:0/18:4(6Z,9Z,12Z,15Z)) C51H90O6 QSFMAXBBEXQJKS-QPNZBUHMSA-N +BMDB62328 790.705040747 TG(15:0/16:0/16:1(9Z)) C50H94O6 RCYIETYFTUBXFK-KWLHUJJFSA-N +BMDB62329 846.767641004 TG(15:0/16:0/20:1(11Z)) C54H102O6 SUYGGHGLHBZSPT-HGUUATKKSA-N +BMDB62330 790.705040747 TG(15:0/18:0/14:1(9Z)) C50H94O6 CFCHREDNKRFVCW-PDJUYAFRSA-N +BMDB62332 846.767641004 TG(15:0/18:0/18:1(9Z)) C54H102O6 NTCKBJDZYIUTCZ-CBOCDEIPSA-N +BMDB62334 846.767641004 TG(15:0/20:0/16:1(9Z)) C54H102O6 NCSPONLYMUMKKP-KMIVGPLPSA-N +BMDB62339 924.814591198 TG(15:0/20:0/22:4(7Z,10Z,13Z,16Z)) C60H108O6 HDDXOXZZGUTMGH-KUINUKFBSA-N +BMDB62340 846.767641004 TG(15:0/22:0/14:1(9Z)) C54H102O6 ZZCNJAJGZOISDU-WAEMFQRBSA-N +BMDB62342 900.814591198 TG(15:0/22:0/18:2(9Z,12Z)) C58H108O6 SNCWETBQRMVHOV-KYEYXGJPSA-N +BMDB62343 898.798941133 TG(15:0/22:0/18:3(6Z,9Z,12Z)) C58H106O6 IDANUBRXZAZNTQ-UNDCHBHASA-N +BMDB62346 924.814591198 TG(15:0/22:0/20:4(5Z,8Z,11Z,14Z)) C60H108O6 DXYNFUILRMSQEB-OUDMIXJTSA-N +BMDB62347 952.845891326 TG(15:0/22:0/22:4(7Z,10Z,13Z,16Z)) C62H112O6 NREQOBXZRZZFOK-ZZJCQLRLSA-N +BMDB62348 898.798941133 TG(15:0/22:0/18:3(9Z,12Z,15Z)) C58H106O6 GNXLOCJIEADZDN-UJKDMMPKSA-N +BMDB62351 928.845891326 TG(15:0/24:0/18:2(9Z,12Z)) C60H112O6 JFSKVJNMFDFHMR-PPLQAQDSSA-N +BMDB62352 926.830241262 TG(15:0/24:0/18:3(6Z,9Z,12Z)) C60H110O6 FOPOUQXJSFCKNT-FEFACAKXSA-N +BMDB62354 952.845891326 TG(15:0/24:0/20:4(5Z,8Z,11Z,14Z)) C62H112O6 ZXJDZGDJRTWYTF-JOUCEHFPSA-N +BMDB62356 926.830241262 TG(15:0/24:0/18:3(9Z,12Z,15Z)) C60H110O6 QHZQZFODHJGTEQ-YKMHXOHJSA-N +BMDB62357 924.814591198 TG(15:0/24:0/18:4(6Z,9Z,12Z,15Z)) C60H108O6 IRHTVXNQOMZIJV-UAQSPOJJSA-N +BMDB62359 748.658090548 TG(15:0/14:1(9Z)/15:0) C47H88O6 GSUGYNLLHVBBBD-SDXDJHTJSA-N +BMDB62360 790.705040747 TG(15:0/14:1(9Z)/18:0) C50H94O6 LFJDGJMMGMSVRP-GLKDPILHSA-N +BMDB62361 846.767641004 TG(15:0/14:1(9Z)/22:0) C54H102O6 RULYVNHKSZOHLQ-IALZTZDJSA-N +BMDB62362 776.725776191 TG(15:0/14:1(9Z)/o-18:0) C50H96O5 JRNGCNUTRCCORS-WGIOATGOSA-N +BMDB62363 790.705040747 TG(15:0/16:1(9Z)/16:0) C50H94O6 IFKIXRIDBLJVHR-ILNKAXEKSA-N +BMDB62364 846.767641004 TG(15:0/16:1(9Z)/20:0) C54H102O6 VCVDKBBECJTNHK-KMIVGPLPSA-N +BMDB62365 900.814591198 TG(15:0/16:1(9Z)/24:1(15Z)) C58H108O6 KZBGDZPDUHOLLM-BYOZWASUSA-N +BMDB62371 846.767641004 TG(15:0/18:1(9Z)/18:0) C54H102O6 XZOUIUJOUOGCSM-OLSVMMKASA-N +BMDB62372 900.814591198 TG(15:0/18:1(9Z)/22:1(13Z)) C58H108O6 OIKZZWRYPFNHCD-JPVYIBRBSA-N +BMDB62373 928.845891326 TG(15:0/18:1(9Z)/24:1(15Z)) C60H112O6 ITAYORXBJXQRPB-BVWQVLTHSA-N +BMDB62375 832.788376449 TG(15:0/18:1(9Z)/o-18:0) C54H104O5 TZCQBTHNJDZQCH-FEKLXSIDSA-N +BMDB62376 846.767641004 TG(15:0/20:1(11Z)/16:0) C54H102O6 SWXNEJDKPPZNDD-HGUUATKKSA-N +BMDB62377 900.814591198 TG(15:0/20:1(11Z)/20:1(11Z)) C58H108O6 WGECLQCBWONQQW-IMDNHMHNSA-N +BMDB62378 928.845891326 TG(15:0/20:1(11Z)/22:1(13Z)) C60H112O6 SQMJIJZRDJBURR-RQOLIHFSSA-N +BMDB62387 900.814591198 TG(15:0/22:1(13Z)/18:1(9Z)) C58H108O6 AZDRPNZSLUOCOF-JPVYIBRBSA-N +BMDB62388 928.845891326 TG(15:0/22:1(13Z)/20:1(11Z)) C60H112O6 JRDJTRWIPLQBPW-RQOLIHFSSA-N +BMDB62390 984.908491584 TG(15:0/22:1(13Z)/24:1(15Z)) C64H120O6 KCEKYYMOTIUAOR-IRVPXVQWSA-N +BMDB62391 898.798941133 TG(15:0/22:1(13Z)/18:2(9Z,12Z)) C58H106O6 BVUKOOZQIGAWRK-HRIHOIJHSA-N +BMDB62395 900.814591198 TG(15:0/24:1(15Z)/16:1(9Z)) C58H108O6 VECBQPDNQCMGKZ-BYOZWASUSA-N +BMDB62397 928.845891326 TG(15:0/24:1(15Z)/18:1(9Z)) C60H112O6 HUPZHZLPCVHVKU-BVWQVLTHSA-N +BMDB62399 984.908491584 TG(15:0/24:1(15Z)/22:1(13Z)) C64H120O6 XEMYZECDKVPSLH-IRVPXVQWSA-N +BMDB62400 926.830241262 TG(15:0/24:1(15Z)/18:2(9Z,12Z)) C60H110O6 AFBPXDLUPKBQFZ-IBUFINAASA-N +BMDB62401 924.814591198 TG(15:0/24:1(15Z)/18:3(6Z,9Z,12Z)) C60H108O6 UCHBEMFCQZHFSL-XKROISJUSA-N +BMDB62405 924.814591198 TG(15:0/24:1(15Z)/18:3(9Z,12Z,15Z)) C60H108O6 FMVSECQYWDCHHF-JGDRQJGZSA-N +BMDB62406 900.814591198 TG(15:0/18:2(9Z,12Z)/22:0) C58H108O6 AMDVCDGQSHKXKJ-KYEYXGJPSA-N +BMDB62407 928.845891326 TG(15:0/18:2(9Z,12Z)/24:0) C60H112O6 ZEBWOWFWNJDSCC-PPLQAQDSSA-N +BMDB62408 898.798941133 TG(15:0/18:2(9Z,12Z)/22:1(13Z)) C58H106O6 WUDWGAJJZFZCER-HRIHOIJHSA-N +BMDB62409 926.830241262 TG(15:0/18:2(9Z,12Z)/24:1(15Z)) C60H110O6 NVFWCMLYJFBSCK-IBUFINAASA-N +BMDB62410 898.798941133 TG(15:0/18:3(6Z,9Z,12Z)/22:0) C58H106O6 UYEQRCSOCOOKBP-SNGDCZRFSA-N +BMDB62411 926.830241262 TG(15:0/18:3(6Z,9Z,12Z)/24:0) C60H110O6 JAVPHHAAEYIKMM-KNGAKILKSA-N +BMDB62412 924.814591198 TG(15:0/18:3(6Z,9Z,12Z)/24:1(15Z)) C60H108O6 GKMORUSRTMSQMC-GUYHVJHPSA-N +BMDB62424 924.814591198 TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:0) C60H108O6 JUGMYMSENHZDFP-XHFKUHIXSA-N +BMDB62425 952.845891326 TG(15:0/20:4(5Z,8Z,11Z,14Z)/24:0) C62H112O6 SXYVNHYLNOIFCY-OZPQAXABSA-N +BMDB62437 924.814591198 TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:0) C60H108O6 PVAYKYVAJQFPGE-KDUWMNDDSA-N +BMDB62438 952.845891326 TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:0) C62H112O6 SEPVTUBBDRBGTC-SJLNYWKTSA-N +BMDB62439 898.798941133 TG(15:0/18:3(9Z,12Z,15Z)/22:0) C58H106O6 RFTLYHXOQWFSCO-UJKDMMPKSA-N +BMDB62440 926.830241262 TG(15:0/18:3(9Z,12Z,15Z)/24:0) C60H110O6 GGDXZWHTUURKMJ-YKMHXOHJSA-N +BMDB62441 924.814591198 TG(15:0/18:3(9Z,12Z,15Z)/24:1(15Z)) C60H108O6 UJJXVIKWENGMNU-JGDRQJGZSA-N +BMDB62442 798.673740612 TG(15:0/18:4(6Z,9Z,12Z,15Z)/15:0) C51H90O6 DLCDFMLHLIWWGK-VNIKSONVSA-N +BMDB62443 924.814591198 TG(15:0/18:4(6Z,9Z,12Z,15Z)/24:0) C60H108O6 GPQRMWGHHPNZPB-RSWNSSALSA-N +BMDB62446 776.725776191 TG(15:0/o-18:0/14:1(9Z)) C50H96O5 OLSSXNRRHDUTHQ-WGIOATGOSA-N +BMDB62448 832.788376449 TG(15:0/o-18:0/18:1(9Z)) C54H104O5 REVTZIGEZSBYTI-INSBXERHSA-N +BMDB62450 748.658090554 TG(16:0/14:0/14:1(9Z)) C47H88O6 ZLMFSPKUPXCIHA-HZMXKNRLSA-N +BMDB62451 798.673740618 TG(16:0/14:0/18:4(6Z,9Z,12Z,15Z)) C51H90O6 NQHJUMRUDPWTGZ-SUWUYPOLSA-N +BMDB62452 846.767641004 TG(16:0/15:0/20:1(11Z)) C54H102O6 OLBAIUGFGBJONF-HGUUATKKSA-N +BMDB62453 798.673740618 TG(16:0/14:1(9Z)/18:3(6Z,9Z,12Z)) C51H90O6 NWLCPZZGVVUSFY-RRHUTUDWSA-N +BMDB62454 798.673740618 TG(16:0/14:1(9Z)/18:3(9Z,12Z,15Z)) C51H90O6 LWHJRSZLXRMOAP-YBPFWAPBSA-N +BMDB62455 798.673740618 TG(16:0/18:3(6Z,9Z,12Z)/14:1(9Z)) C51H90O6 HVYMAVYOYHRAHR-VIJIUOEUSA-N +BMDB62456 798.673740618 TG(16:0/18:3(9Z,12Z,15Z)/14:1(9Z)) C51H90O6 OQRLQTYUHSMYBO-XJIKFJTISA-N +BMDB62457 790.705040747 TG(18:0/15:0/14:1(9Z)) C50H94O6 POEMAXWBRPFZKX-PDJUYAFRSA-N +BMDB62459 846.767641004 TG(18:0/15:0/18:1(9Z)) C54H102O6 APVPOBGVVXVJSH-IWRJKWNLSA-N +BMDB62461 846.767641004 TG(20:0/15:0/16:1(9Z)) C54H102O6 HREUUVCMFUGBOQ-FECCDXIYSA-N +BMDB62466 924.814591198 TG(20:0/15:0/22:4(7Z,10Z,13Z,16Z)) C60H108O6 XJUZJPDCZUPASF-KDUWMNDDSA-N +BMDB62467 846.767641004 TG(22:0/15:0/14:1(9Z)) C54H102O6 DZWUIBOQQCZJFO-WAEMFQRBSA-N +BMDB62469 900.814591198 TG(22:0/15:0/18:2(9Z,12Z)) C58H108O6 TZSOCBSSQBBTSS-JODOLNPYSA-N +BMDB62470 898.798941133 TG(22:0/15:0/18:3(6Z,9Z,12Z)) C58H106O6 YTPRVRWPVFSOAL-MHPADUKNSA-N +BMDB62473 924.814591198 TG(22:0/15:0/20:4(5Z,8Z,11Z,14Z)) C60H108O6 OHIGSKGZRDLMSK-KWILIEPASA-N +BMDB62474 952.845891326 TG(22:0/15:0/22:4(7Z,10Z,13Z,16Z)) C62H112O6 RBNFTDLTHUHQJO-VQIGVWRVSA-N +BMDB62475 898.798941133 TG(22:0/15:0/18:3(9Z,12Z,15Z)) C58H106O6 YFTFKGRPESIBQI-FNRWURKDSA-N +BMDB62478 928.845891326 TG(24:0/15:0/18:2(9Z,12Z)) C60H112O6 LDPBQRWCJACJSJ-ZCGDJMIFSA-N +BMDB62479 926.830241262 TG(24:0/15:0/18:3(6Z,9Z,12Z)) C60H110O6 AFRHTXSGJZBJEK-FKZFEJELSA-N +BMDB62481 952.845891326 TG(24:0/15:0/20:4(5Z,8Z,11Z,14Z)) C62H112O6 HVTDRKMNLXBRAC-FWRHJWPXSA-N +BMDB62483 926.830241262 TG(24:0/15:0/18:3(9Z,12Z,15Z)) C60H110O6 ZLHFCDYCFQPFAG-QVXLBHFGSA-N +BMDB62484 924.814591198 TG(24:0/15:0/18:4(6Z,9Z,12Z,15Z)) C60H108O6 VPFZFWBQBROUGP-IWOSBTQLSA-N +BMDB62487 770.642440489 TG(14:1(9Z)/14:0/18:3(6Z,9Z,12Z)) C49H86O6 GNLWEEXSDSFXNJ-HFBGPIEWSA-N +BMDB62489 770.642440489 TG(14:1(9Z)/14:0/18:3(9Z,12Z,15Z)) C49H86O6 HXZOAMZGAUDRLR-ZUMUJTSCSA-N +BMDB62490 776.725776191 TG(14:1(9Z)/15:0/o-18:0) C50H96O5 JHXKWAARTHRGDX-WGIOATGOSA-N +BMDB62491 798.673740618 TG(14:1(9Z)/16:0/18:3(6Z,9Z,12Z)) C51H90O6 WCTQHGKNXPVJMQ-BJOSFJKTSA-N +BMDB62492 798.673740618 TG(14:1(9Z)/16:0/18:3(9Z,12Z,15Z)) C51H90O6 XTRYZGWGRJXOOV-YBPFWAPBSA-N +BMDB62493 744.626790425 TG(14:1(9Z)/14:1(9Z)/16:1(9Z)) C47H84O6 SVKNSUKRPRJLMQ-QSDZTSERSA-N +BMDB62494 770.642440489 TG(14:1(9Z)/14:1(9Z)/18:2(9Z,12Z)) C49H86O6 ZKUXYRGOHVAQTO-GJMMRMLPSA-N +BMDB62496 744.62679042 TG(14:1(9Z)/16:1(9Z)/14:1(9Z)) C47H84O6 UUHFVYROTXJXCR-SASKFMPESA-N +BMDB62497 798.673740618 TG(14:1(9Z)/16:1(9Z)/18:2(9Z,12Z)) C51H90O6 XPYGWWVHYLRURU-PZMZSIAASA-N +BMDB62498 770.642440489 TG(14:1(9Z)/18:2(9Z,12Z)/14:1(9Z)) C49H86O6 DIRRXTMFJOBQJL-HMORJWIESA-N +BMDB62499 798.673740618 TG(14:1(9Z)/18:2(9Z,12Z)/16:1(9Z)) C51H90O6 WJWQEGJNNYAEMU-PZMZSIAASA-N +BMDB62501 798.673740618 TG(16:1(9Z)/14:0/18:3(6Z,9Z,12Z)) C51H90O6 IEMSJARCABXYAI-DSHDAVCZSA-N +BMDB62502 798.673740618 TG(16:1(9Z)/14:0/18:3(9Z,12Z,15Z)) C51H90O6 KHMIUYHHLSILFQ-NGYNEUHUSA-N +BMDB62503 900.814591198 TG(16:1(9Z)/15:0/24:1(15Z)) C58H108O6 BIVVWXVYGHOKIM-BYOZWASUSA-N +BMDB62504 798.673740618 TG(16:1(9Z)/14:1(9Z)/18:2(9Z,12Z)) C51H90O6 ZPZGOYQBHJNTHP-PZMZSIAASA-N +BMDB62508 900.814591198 TG(18:1(9Z)/15:0/22:1(13Z)) C58H108O6 WDEQRGGWWPURTM-JPVYIBRBSA-N +BMDB62509 928.845891326 TG(18:1(9Z)/15:0/24:1(15Z)) C60H112O6 CQHBNHZPQMAQRQ-BVWQVLTHSA-N +BMDB62511 832.788376449 TG(18:1(9Z)/15:0/o-18:0) C54H104O5 FUYXCWQRELQTDS-FEKLXSIDSA-N +BMDB62512 900.814591188 TG(20:1(11Z)/15:0/20:1(11Z)) C58H108O6 PWOMLGILNAAXBL-LBXGSASVSA-N +BMDB62513 928.845891326 TG(20:1(11Z)/15:0/22:1(13Z)) C60H112O6 BHMNYQXXBGBVQM-RQOLIHFSSA-N +BMDB62518 984.908491584 TG(22:1(13Z)/15:0/24:1(15Z)) C64H120O6 ZESOFCBMWKPOCB-IRVPXVQWSA-N +BMDB62519 898.798941133 TG(22:1(13Z)/15:0/18:2(9Z,12Z)) C58H106O6 ZMLPYXDICDGROD-BQIKIWBJSA-N +BMDB62523 926.830241262 TG(24:1(15Z)/15:0/18:2(9Z,12Z)) C60H110O6 JJKFGVCMRIJWBI-ZMHWGGBRSA-N +BMDB62524 924.814591198 TG(24:1(15Z)/15:0/18:3(6Z,9Z,12Z)) C60H108O6 ABBJVEBAFLLCTN-UHCIUADBSA-N +BMDB62528 924.814591198 TG(24:1(15Z)/15:0/18:3(9Z,12Z,15Z)) C60H108O6 IROOPZMKLWWAJR-LBVZHLKQSA-N +BMDB62532 140.047344122 "Ethyl furoate" C7H8O3 NHXSTXWKZVAVOQ-UHFFFAOYSA-N +BMDB62533 245.148789499 beta-Alanyl-L-arginine C9H19N5O3 DLRGFJGVZXSSTP-LURJTMIESA-N +BMDB62534 238.050782583 Uranium U JFALSRSLKYAFGM-UHFFFAOYSA-N +BMDB62535 226.193280077 "9E-tetradecenoic acid" C14H26O2 YWWVWXASSLXJHU-AATRIKPKSA-N +BMDB62536 161.068807845 "N-methyl-L-glutamic Acid" C6H11NO4 XLBVNMSMFQMKEY-BYPYZUCNSA-N +BMDB62537 174.100442324 N(5)-ethyl-L-glutamine C7H14N2O3 DATAGRPVKZEWHA-YFKPBYRVSA-N +BMDB62538 282.255880335 "13Z-Octadecenoic acid" C18H34O2 BDLLSHRIFPDGQB-WAYWQWQTSA-N +BMDB62540 128.004433931 2-Thiouracil C4H4N2OS ZEMGGZBWXRYJHK-UHFFFAOYSA-N +BMDB62541 128.035316637 4-Oxoproline C5H6NO3 HFXAFXVXPMUQCQ-UHFFFAOYSA-M +BMDB62542 498.37091009 "7,11-Dioxolanost-8-en-3-yl acetate" C32H50O4 MMVITYGCRCBTDU-UHFFFAOYSA-N +BMDB62548 280.24023027 "9Z,15Z-octadecadienoic acid" C18H32O2 AWGFYZFANDHELM-RTAKVZRXSA-N +BMDB62549 307.153206168 Ala-Phe-Ala C15H21N3O4 XRUJOVRWNMBAAA-UHFFFAOYSA-N +BMDB62550 486.313897752 Arg-Arg-Arg C18H38N12O4 XPSGESXVBSQZPL-UHFFFAOYSA-N +BMDB62551 559.355428213 Arg-Thr-Lys-Arg C22H45N11O6 UPLCTTWJNCYYAW-UHFFFAOYSA-N +BMDB62552 472.275780911 Asn-Arg-Ala-Ile C19H36N8O6 SVSBLOSMLPLILN-UHFFFAOYSA-N +BMDB62553 310.287180464 "C20:1 c5" C20H38O2 FPAQLJHSZVFKES-NXVVXOECSA-N +BMDB62554 343.085460224 "Coenzyme B" C11H22NO7PS JBJSVEVEEGOEBZ-UHFFFAOYSA-N +BMDB62555 162.052823422 "Conduritol B epoxide" C6H10O5 ZHMWOVGZCINIHW-FTYOSCRSSA-N +BMDB62556 436.108641477 Cys-Cys-Asp-Pro C15H24N4O7S2 DKZZUBANFHKYBC-UHFFFAOYSA-N +BMDB62557 188.104859 "Ethyl glutarate" C9H16O4 OUWSNHWQZPEFEX-UHFFFAOYSA-N +BMDB62558 43.017047044 Hydrogen-azide HN3 JUINSXZKUKVTMD-UHFFFAOYSA-N +BMDB62559 454.315520468 Ile-Ile-Ile-Pro C23H42N4O5 OCEZPDBEDULORM-UHFFFAOYSA-N +BMDB62560 329.23145649 Ile-Val-Val C16H31N3O4 YHFPHRUWZMEOIX-UHFFFAOYSA-N +BMDB62561 278.224580206 "Jacaric acid" C18H30O2 DQGMPXYVZZCNDQ-KDQYYBQISA-N +BMDB62562 557.339778149 Leu-Arg-Asn-Arg C22H43N11O6 PFUDAVBUJIYNMF-UHFFFAOYSA-N +BMDB62563 513.363867641 Leu-Arg-Leu-Ile C24H47N7O5 UEEBGIUHABTYMD-UHFFFAOYSA-N +BMDB62564 407.242021175 Leu-Leu-Tyr C21H33N3O5 UCNNZELZXFXXJQ-BZSNNMDCSA-N +BMDB62565 341.23145649 Leu-Pro-Ile C17H31N3O4 YUTNOGOMBNYPFH-UHFFFAOYSA-N +BMDB62566 424.195799258 Lys-Asp-Tyr C19H28N4O7 NTBFKPBULZGXQL-KKUMJFAQSA-N +BMDB62567 95.988114684 "Methanesulfonic acid" CH4O3S AFVFQIVMOAPDHO-UHFFFAOYSA-N +BMDB62569 410.31445784 "N-oleoyl glutamine" C23H42N2O4 ZHVSXWCIYWYBQP-QJRAZLAKSA-N +BMDB62570 219.074287153 O-Succinyl-L-homoserine C8H13NO6 GNISQJGXJIDKDJ-YFKPBYRVSA-N +BMDB62571 565.301267384 Phe-Phe-Pro-Arg C29H39N7O5 ANAFHSULEWIOPZ-UHFFFAOYSA-N +BMDB62572 375.215806426 Phe-Pro-Ile C20H29N3O4 FZBGMXYQPACKNC-UHFFFAOYSA-N +BMDB62573 227.079372523 Pretyrosine C10H13NO5 MIEILDYWGANZNH-DSQUFTABSA-N +BMDB62574 228.147392512 Pro-Ile C11H20N2O3 OCYROESYHWUPBP-CIUDSAMLSA-N +BMDB62575 359.184506297 Pro-Pro-Phe C19H25N3O4 NAIPAPCKKRCMBL-UHFFFAOYSA-N +BMDB62576 158.92535 Terbium Tb GZCRRIHWUXGPOV-UHFFFAOYSA-N +BMDB62577 526.27913496 Val-Phe-Val-Tyr C28H38N4O6 HRJFPLCYTCOZOV-UHFFFAOYSA-N +BMDB62578 311.184506297 Val-Pro-Pro C15H25N3O4 DOFAQXCYFQKSHT-SRVKXCTJSA-N +BMDB62579 229.240564622 "Xestoaminol C" C14H31NO WMUMHAZHWIUBPN-UONOGXRCSA-N +BMDB62580 180.063388106 alpha-D-Allofuranose C6H12O6 AVVWPBAENSWJCB-RXRWUWDJSA-N +BMDB62581 278.224580206 "beta-Calendic acid" C18H30O2 DQGMPXYVZZCNDQ-OBWVEWQSSA-N +BMDB62583 188.032087988 homo-cis-Aconitate C7H8O6 BJYPZFUWWJSAKC-ARJAWSKDSA-N +BMDB62584 549.327482133 Val-Tyr-Leu-Arg C26H43N7O6 PQXJRCMPKACZNI-UHFFFAOYSA-N +BMDB62585 226.193280077 "3E-tetradecenoic acid" C14H26O2 KYQLBACAKNAOOC-VAWYXSNFSA-N +BMDB62586 226.193280076 "Physeteric acid" C14H26O2 AFGUVBVUFZMJMX-KTKRTIGZSA-N +BMDB62587 226.193280077 "7Z-tetradecenoic acid" C14H26O2 ZVXDGKJSUPWREP-FPLPWBNLSA-N +BMDB62588 254.224580204 "Lycopodic acid" C16H30O2 JGMYDQCXGIMHLL-AATRIKPKSA-N +BMDB62589 254.224580206 "11Z-hexadecenoic acid" C16H30O2 JGMYDQCXGIMHLL-WAYWQWQTSA-N +BMDB62590 254.224580206 "5Z-hexadecenoic acid" C16H30O2 KVXIRQZWCOAYRD-QXMHVHEDSA-N +BMDB62591 268.24023027 "10E-heptadecenoic acid" C17H32O2 GDTXICBNEOEPAZ-BQYQJAHWSA-N +BMDB62592 268.24023027 "8E-heptadecenoic acid" C17H32O2 ZBIGLIMGCLJKHN-MDZDMXLPSA-N +BMDB62593 268.24023027 "Civetic acid" C17H32O2 ZBIGLIMGCLJKHN-KTKRTIGZSA-N +BMDB62594 308.271530399 "7Z,14Z-eicosadienoic acid" C20H36O2 LYJCLHKKCLWCLC-ZBXVJARNSA-N +BMDB62595 383.267173295 (5Z,8Z)-3-Hydroxytetradecadienoylcarnitine C21H37NO5 LVNITLZCNUEXQK-UTJQPWESSA-N +BMDB62597 441.345423617 (9Z)-3-Hydroxyoctadecenoylcarnitine C25H47NO5 YBCVTTMMURGSEY-SEYXRHQNSA-N +BMDB62598 411.298473424 (9Z,12Z)-3-Hydroxyhexadecadienoylcarnitine C23H41NO5 CPHHQDCIGLXPCO-NQLNTKRDSA-N +BMDB62599 624.584531676 "16:0 Cholesteryl ester" C43H76O2 BBJQPKLGPMQWBU-JADYGXMDSA-N +BMDB62600 650.60018174 "18:1 Cholesteryl ester" C45H78O2 RJECHNNFRHZQKU-RMUVNZEASA-N +BMDB62601 648.584531676 "18:2 Cholesteryl ester" C45H76O2 NAACPBBQTFFYQB-LJAITQKLSA-N +BMDB62602 243.14705816 2-Ethylacryloylcarnitine C12H21NO4 AUFJTEGVQXGXTG-UHFFFAOYSA-N +BMDB62603 670.568881623 "20:5 Cholesteryl ester" C47H74O2 XZFUGMCJZFRBKF-BDJFIEMMSA-N +BMDB62604 698.600181752 "22:5 Cholesteryl ester" C49H78O2 XOLZNHXNFMEUGA-DCDLNIKOSA-N +BMDB62605 247.14197278 3-Hydroxybutyrylcarnitine C11H21NO5 UEFRDQSMQXDWTO-UHFFFAOYSA-N +BMDB62606 203.115758031 Acetyl-D-carnitine C9H17NO4 RDHQFKQIGNGIED-QMMMGPOBSA-N +BMDB62607 566.491025225 DG(12:0/20:1(11Z)/0:0)[iso2] C35H66O5 FWHSISWHFVYSNM-WZCSSZMCSA-N +BMDB62608 564.475375161 DG(12:0/20:2(11Z,14Z)/0:0)[iso2] C35H64O5 ROMBWMLCYZZIBF-JXLXOFGUSA-N +BMDB62609 566.491025222 DG(14:0/18:1(9Z)/0:0)[iso2] C35H66O5 XEQQGHISHUGMIP-ASUORMEESA-N +BMDB62610 564.475375158 DG(14:0/18:2(9Z,12Z)/0:0)[iso2] C35H64O5 WVBVUWWRPSWGDS-JWVBYZEHSA-N +BMDB62611 594.52232535 DG(14:0/20:1(11Z)/0:0)[iso2] C37H70O5 VQOIASKPUKUIDV-CEJFXXFTSA-N +BMDB62612 590.491025222 DG(14:0/20:3(8Z,11Z,14Z)/0:0)[iso2] C37H66O5 MIOCZRAJMXIEKP-NYBWPXJJSA-N +BMDB62613 566.491025222 DG(14:1(9Z)/18:0/0:0)[iso2] C35H66O5 PAHKOLCUPPSBEU-ZUMVFQCASA-N +BMDB62614 564.475375158 DG(14:1(9Z)/18:1(9Z)/0:0)[iso2] C35H64O5 HJBMLXDFAMFHQW-QGYSHCINSA-N +BMDB62615 594.52232535 DG(14:1(9Z)/20:0/0:0)[iso2] C37H70O5 MTIPZYJQFUTOHS-UPROKQPWSA-N +BMDB62616 590.491025222 DG(14:1(9Z)/20:2(11Z,14Z)/0:0)[iso2] C37H66O5 YMQRUULVAHFQLL-MJRSHOOBSA-N +BMDB62617 566.491025222 DG(16:0/16:1(9Z)/0:0)[iso2] C35H66O5 ADLOEVQMJKYKSR-YAIMUBSCSA-N +BMDB62618 590.491025222 DG(16:0/18:3(9Z,12Z,15Z)/0:0)[iso2] C37H66O5 UHPKYXAUVQOHQL-DSZXWZEOSA-N +BMDB62619 620.537975414 DG(16:0/20:2(11Z,14Z)/0:0)[iso2] C39H72O5 MVAYIPZWUCBXOE-PKQDJGPXSA-N +BMDB62620 618.52232535 DG(16:0/20:3(8Z,11Z,14Z)/0:0)[iso2] C39H70O5 XYIQDUUJTXPBFG-JKUSIIDJSA-N +BMDB62621 652.60057567 DG(16:0/22:0/0:0)[iso2] C41H80O5 JAJNYVORAKCQCM-KDXMTYKHSA-N +BMDB62622 594.52232535 DG(16:1(9Z)/18:0/0:0)[iso2] C37H70O5 SPBROLJVHYTNGF-BSNNDZOISA-N +BMDB62623 590.491025222 DG(16:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] C37H66O5 BHGPPCIWDXQOMA-IXDOJJAKSA-N +BMDB62624 620.537975414 DG(16:1(9Z)/20:1(11Z)/0:0)[iso2] C39H72O5 FBCDXXQBGHZSLI-JSTCSLLMSA-N +BMDB62625 618.52232535 DG(16:1(9Z)/20:2(11Z,14Z)/0:0)[iso2] C39H70O5 WPAJXHHVSWVZKN-YCGDJTGESA-N +BMDB62626 652.600575676 DG(17:0/21:0/0:0)[iso2] C41H80O5 UBMVHLXKTLMMJU-KDXMTYKHSA-N +BMDB62627 666.61622574 DG(17:0/22:0/0:0)[iso2] C42H82O5 OXOSWOLENAISIR-FAIXQHPJSA-N +BMDB62628 620.537975414 DG(18:0/18:2(9Z,12Z)/0:0)[iso2] C39H72O5 AJMZUFBKADIAKC-SKTOPKGQSA-N +BMDB62629 618.52232535 DG(18:0/18:3(9Z,12Z,15Z)/0:0)[iso2] C39H70O5 UBECYQFWKVVULW-RSUCNCGHSA-N +BMDB62630 652.60057567 DG(18:0/20:0/0:0)[iso2] C41H80O5 JPKVDETWOQEHQO-KDXMTYKHSA-N +BMDB62631 666.61622574 DG(18:0/21:0/0:0)[iso2] C42H82O5 RJBJDNUTASYQLX-FAIXQHPJSA-N +BMDB62632 594.522325354 DG(18:1(11E)/16:0/0:0) C37H70O5 GSEVZLBSIOIEFK-AAOCECEDSA-N +BMDB62633 618.52232535 DG(18:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] C39H70O5 BLZVZPYMHLXLHG-JOBMVARSSA-N +BMDB62634 590.491025222 DG(18:3(6Z,9Z,12Z)/16:0/0:0)[iso2] C37H66O5 NFVDEXJHCNKRNB-XEQVECQLSA-N +BMDB62635 618.52232535 DG(18:3(6Z,9Z,12Z)/18:0/0:0)[iso2] C39H70O5 ZPHRNEDMZVPDPW-CBKFDAJOSA-N +BMDB62636 652.600575676 DG(19:0/19:0/0:0) C41H80O5 UNXQXIYZHULSKR-KDXMTYKHSA-N +BMDB62637 666.61622574 DG(19:0/20:0/0:0)[iso2] C42H82O5 WOYQNYWDHIPWIB-FAIXQHPJSA-N +BMDB62638 692.631875805 DG(19:0/22:1(13Z)/0:0)[iso2] C44H84O5 SECFFWQDXUWKND-ZMKUDAGUSA-N +BMDB62639 708.663175926 DG(20:0/22:0/0:0)[iso2] C45H88O5 FASMRHWOTINWGZ-QLKFWGTOSA-N +BMDB62640 706.647525862 DG(20:0/22:1(13Z)/0:0)[iso2] C45H86O5 DSCILNRDAOLXET-URFWVIAFSA-N +BMDB62641 692.631875805 DG(20:1(11Z)/21:0/0:0)[iso2] C44H84O5 JBZLTWGWTHFDEQ-KXXNDPJKSA-N +BMDB62642 706.647525862 DG(20:1(11Z)/22:0/0:0)[iso2] C45H86O5 KKUJWTOLSKTBLP-QGWKGAMHSA-N +BMDB62643 704.631875798 DG(20:1(11Z)/22:1(13Z)/0:0)[iso2] C45H84O5 TXSPVVDGQJIPFG-ALXJKLDESA-N +BMDB62644 704.631875798 DG(20:2(11Z,14Z)/22:0/0:0)[iso2] C45H84O5 KVPLVJYCAJVIFI-WSVMHZSVSA-N +BMDB62645 708.663175934 DG(21:0/21:0/0:0) C45H88O5 PALXRFBPSNIFEK-QLKFWGTOSA-N +BMDB62646 580.543060798 DG(O-16:0/18:1(9Z)) C37H72O4 ZDRGKGZHXIWXJD-MEVCPPAWSA-N +BMDB62647 203.115758037 DL-Acetylcarnitine C9H17NO4 RDHQFKQIGNGIED-UHFFFAOYSA-N +BMDB62648 245.162708225 Isovaleryl-L-carnitine C12H23NO4 IGQBPDJNUXPEMT-SNVBAGLBSA-N +BMDB62650 261.121237345 Methylmalonylcarnitine C11H19NO6 XROYFEWIXXCPAW-MQWKRIRWSA-N +BMDB62651 289.152537473 O-Adipoylcarnitine C13H23NO6 BSVHAXJKBCWVDA-UHFFFAOYSA-N +BMDB62652 343.272258675 O-Dodecanoylcarnitine C19H37NO4 FUJLYHJROOYKRA-UHFFFAOYSA-N +BMDB62654 261.121237336 O-Methylmalonylcarnitine C11H19NO6 XROYFEWIXXCPAW-UHFFFAOYSA-N +BMDB62655 217.131408096 O-Propanoyl-D-carnitine C10H19NO4 UFAHZIUFPNSHSL-QMMMGPOBSA-N +BMDB62656 261.121237345 O-Succinylcarnitine C11H19NO6 HAEVNYBCYZZDFL-UHFFFAOYSA-N +BMDB62657 371.303558804 O-Tetradecanoylcarnitine C21H41NO4 PSHXNVGSVNEJBD-UHFFFAOYSA-N +BMDB62662 675.483905216 PC(10:0/18:1(9Z)) C36H70NO8P LHGRLARXULFYPW-RZCWWDNZSA-N +BMDB62663 691.515205345 PC(10:0/19:0) C37H74NO8P UPBDHGWIURTORP-PGUFJCEWSA-N +BMDB62664 705.530855409 PC(10:0/20:0) C38H76NO8P SVIWSHKAEXRJFD-PSXMRANNSA-N +BMDB62665 719.546505474 PC(10:0/21:0) C39H78NO8P QIPBUWAWTWBGPP-DIPNUNPCSA-N +BMDB62666 733.562155538 PC(10:0/22:0) C40H80NO8P IOFVELCSFOVZPC-KXQOOQHDSA-N +BMDB62667 747.577805602 PC(10:0/23:0) C41H82NO8P RCFPRPKUCWXQNV-LDLOPFEMSA-N +BMDB62668 761.593455667 PC(10:0/24:0) C42H84NO8P KMJHXPMCMOXODU-RRHRGVEJSA-N +BMDB62669 705.530855409 PC(11:0/19:0) C38H76NO8P QEJBTEZRLKJPKT-PSXMRANNSA-N +BMDB62670 719.546505474 PC(11:0/20:0) C39H78NO8P OELOTERACVRIQH-DIPNUNPCSA-N +BMDB62671 733.562155538 PC(11:0/21:0) C40H80NO8P SFHLFLGTWUXKDJ-KXQOOQHDSA-N +BMDB62672 747.577805602 PC(11:0/22:0) C41H82NO8P LDFNJDAPTPJKTN-LDLOPFEMSA-N +BMDB62673 761.593455667 PC(11:0/23:0) C42H84NO8P ARPFEYKJAOELFX-RRHRGVEJSA-N +BMDB62674 775.609105731 PC(11:0/24:0) C43H86NO8P WSIRPZLICLQFIR-VQJSHJPSSA-N +BMDB62675 675.483904733 PC(12:0/16:1(9Z)) C36H70NO8P YTBUBHOCZIYJCN-ALNMSFLZSA-N +BMDB62676 691.515205345 PC(12:0/17:0) C37H74NO8P UHQZAGLLHJLILZ-PGUFJCEWSA-N +BMDB62677 705.530855409 PC(12:0/18:0) C38H76NO8P XMMPMEPNQVLMLI-PSXMRANNSA-N +BMDB62678 703.515205345 PC(12:0/18:1(9Z)) C38H74NO8P LPUZRKCOBURCPA-UAIAYBLDSA-N +BMDB62679 719.546505474 PC(12:0/19:0) C39H78NO8P WMOFTJILTZIKIH-DIPNUNPCSA-N +BMDB62680 733.562155053 PC(12:0/20:0) C40H80NO8P UZNWSMIOMFUEDK-KXQOOQHDSA-N +BMDB62681 731.546505474 PC(12:0/20:1(11Z)) C40H78NO8P BUFPMOFUFXIVNG-YWTUKGCKSA-N +BMDB62682 729.530854925 PC(12:0/20:2(11Z,14Z)) C40H76NO8P IABPRJCFINAMLD-JSHIBXJCSA-N +BMDB62683 727.515205345 PC(12:0/20:3(8Z,11Z,14Z)) C40H74NO8P KSFNDKKWDZYJSF-XDBAXXFZSA-N +BMDB62684 747.577805602 PC(12:0/21:0) C41H82NO8P VQFNJMUDCGKGQK-LDLOPFEMSA-N +BMDB62685 761.593455667 PC(12:0/22:0) C42H84NO8P WFNYHLJLDCXMDV-RRHRGVEJSA-N +BMDB62686 753.530855409 PC(12:0/22:4(7Z,10Z,13Z,16Z)) C42H76NO8P YOKRROJLYKOJNI-SRHQVDMPSA-N +BMDB62687 775.609105731 PC(12:0/23:0) C43H86NO8P JYMIPWOZASSGGM-VQJSHJPSSA-N +BMDB62688 789.624755796 PC(12:0/24:0) C44H88NO8P IIKFGPGQHMMADZ-HUESYALOSA-N +BMDB62689 691.515205345 PC(13:0/16:0) C37H74NO8P GYPKSXNFKICCOR-PGUFJCEWSA-N +BMDB62690 705.530855409 PC(13:0/17:0) C38H76NO8P AZEAMUNCULVBPK-PSXMRANNSA-N +BMDB62691 719.546505474 PC(13:0/18:0) C39H78NO8P JCYHLCNGJZYTHB-DIPNUNPCSA-N +BMDB62692 717.530855409 PC(13:0/18:1(9Z)) C39H76NO8P JLKJDPHPYLQTAM-PLOGQBHYSA-N +BMDB62693 715.515205345 PC(13:0/18:2(9Z,12Z)) C39H74NO8P VYIZOJIGQOJWGL-HFWMYYSASA-N +BMDB62694 733.562155538 PC(13:0/19:0) C40H80NO8P CXQDKCMMOXUQLJ-KXQOOQHDSA-N +BMDB62695 747.577805602 PC(13:0/20:0) C41H82NO8P STFDYQJAZCASBW-LDLOPFEMSA-N +BMDB62696 745.562155538 PC(13:0/20:1(11Z)) C41H80NO8P HILNHYCWLDRSKJ-DPTAKULKSA-N +BMDB62697 743.546505474 PC(13:0/20:2(11Z,14Z)) C41H78NO8P QHOURZDLKBFDGQ-ZSIBMOKUSA-N +BMDB62698 761.593455667 PC(13:0/21:0) C42H84NO8P YNAVPMYVEPIOMV-RRHRGVEJSA-N +BMDB62699 775.609105731 PC(13:0/22:0) C43H86NO8P QASAKYKIYWSVDC-VQJSHJPSSA-N +BMDB62700 789.624755796 PC(13:0/23:0) C44H88NO8P KMWAIMBDGYWJJR-HUESYALOSA-N +BMDB62701 719.546505474 PC(14:0/17:0) C39H78NO8P XVICSSKXVFMPSZ-DIPNUNPCSA-N +BMDB62702 747.577805602 PC(14:0/19:0) C41H82NO8P LQBNSMVVDPMRST-LDLOPFEMSA-N +BMDB62703 775.609105731 PC(14:0/21:0) C43H86NO8P ZAEASCYIFCXOFJ-VQJSHJPSSA-N +BMDB62704 717.530855409 PC(14:1(9Z)/17:0) C39H76NO8P UWZMQXDPMXICQP-IEHWZJNJSA-N +BMDB62705 745.562155538 PC(14:1(9Z)/19:0) C41H80NO8P XUJPXXPURAZXIE-DTKYWWSASA-N +BMDB62706 773.593455667 PC(14:1(9Z)/21:0) C43H84NO8P APGJPFHCNZZTPN-XTSQRIEGSA-N +BMDB62708 733.562155538 PC(15:0/17:0) C40H80NO8P CAGAUSXUXQQKRC-KXQOOQHDSA-N +BMDB62709 761.593455667 PC(15:0/19:0) C42H84NO8P YVCPDSWUXVQBNE-RRHRGVEJSA-N +BMDB62710 789.624755796 PC(15:0/21:0) C44H88NO8P VWLICNQRTMDGNI-HUESYALOSA-N +BMDB62712 691.515205345 PC(16:0/13:0) C37H74NO8P JTPYLSOQEHJKNH-PGUFJCEWSA-N +BMDB62713 747.577805602 PC(16:0/17:0) C41H82NO8P CNHYMCCAIZQMPA-LDLOPFEMSA-N +BMDB62714 759.577805602 PC(16:0/18:1(11E)) C42H82NO8P AEPVLLKGEBHLEJ-CRZTYIBISA-N +BMDB62715 759.577805602 PC(16:0/18:1(9E)) C42H82NO8P WTJKGGKOPKCXLL-RYDYYDTQSA-N +BMDB62716 757.562155538 PC(16:0/18:2(9E,12E)) C42H80NO8P JLPULHDHAOZNQI-JLOPVYAASA-N +BMDB62717 775.609105731 PC(16:0/19:0) C43H86NO8P DRHYTKZTKWDSBJ-VQJSHJPSSA-N +BMDB62718 803.64040586 PC(16:0/21:0) C45H90NO8P MLFCBZAXKCJVAK-VZUYHUTRSA-N +BMDB62719 675.483904733 PC(16:1(9Z)/12:0) C36H70NO8P NEMULSNXBUKEGX-ALNMSFLZSA-N +BMDB62720 745.562155538 PC(16:1(9Z)/17:0) C41H80NO8P OFRWLQSOUIZELQ-VEAYGOGPSA-N +BMDB62721 773.593455667 PC(16:1(9Z)/19:0) C43H84NO8P BKOVIRNFTBFFRO-HVLKLTLRSA-N +BMDB62722 691.515205345 PC(17:0/12:0) C37H74NO8P FKXLGHWVLBZNMB-PGUFJCEWSA-N +BMDB62723 705.530855409 PC(17:0/13:0) C38H76NO8P WCVPTHRKFPAKIN-PSXMRANNSA-N +BMDB62724 719.546505474 PC(17:0/14:0) C39H78NO8P JSYFGYWOHKUBJD-DIPNUNPCSA-N +BMDB62725 717.530855409 PC(17:0/14:1(9Z)) C39H76NO8P PLMJQEBGYPYWCL-IEHWZJNJSA-N +BMDB62726 733.562155538 PC(17:0/15:0) C40H80NO8P LOLPCAJPUJWKHZ-KXQOOQHDSA-N +BMDB62727 747.577805602 PC(17:0/16:0) C41H82NO8P ULRGYXXISKXLRY-LDLOPFEMSA-N +BMDB62728 745.562155538 PC(17:0/16:1(9Z)) C41H80NO8P DISVYZNGGMDUPX-VEAYGOGPSA-N +BMDB62729 761.593455667 PC(17:0/17:0) C42H84NO8P RTWAYAIMWLNAJW-RRHRGVEJSA-N +BMDB62730 775.609105731 PC(17:0/18:0) C43H86NO8P YJWIMUXYXBHXDA-VQJSHJPSSA-N +BMDB62731 773.593455667 PC(17:0/18:1(9Z)) C43H84NO8P SXNXGNVZTLZDHE-IYEJTHTFSA-N +BMDB62732 771.577805602 PC(17:0/18:2(9Z,12Z)) C43H82NO8P ZSKWZJYUVZYDQU-WESJWMGVSA-N +BMDB62733 769.562155538 PC(17:0/18:3(6Z,9Z,12Z)) C43H80NO8P FRGPJGOCQLYORI-LKMVIVGJSA-N +BMDB62734 769.562155538 PC(17:0/18:3(9Z,12Z,15Z)) C43H80NO8P JWRXJXZFMNQZBD-CAPSFDDTSA-N +BMDB62735 789.624755796 PC(17:0/19:0) C44H88NO8P YTOAPAUFDPDITM-HUESYALOSA-N +BMDB62736 803.64040586 PC(17:0/20:0) C45H90NO8P DUHNELFGOVIVQQ-VZUYHUTRSA-N +BMDB62738 757.562155538 PC(17:1(10Z)/17:1(10Z)) C42H80NO8P IPVXFAFRWUVOLG-JSLHZOBYSA-N +BMDB62740 705.530855409 PC(18:0/12:0) C38H76NO8P BRNGDJBMPAYDPP-PSXMRANNSA-N +BMDB62741 719.546505474 PC(18:0/13:0) C39H78NO8P MBVGMFMZJMLHCN-DIPNUNPCSA-N +BMDB62742 775.609105731 PC(18:0/17:0) C43H86NO8P INGHVKLNPWCPOK-VQJSHJPSSA-N +BMDB62743 787.609105731 PC(18:0/18:1(9E)) C44H86NO8P ATHVAWFAEPLPPQ-QPOMNCEOSA-N +BMDB62744 803.64040586 PC(18:0/19:0) C45H90NO8P IFJJJCCHAXWTHR-VZUYHUTRSA-N +BMDB62745 785.593455667 PC(18:1(11E)/18:1(11E)) C44H84NO8P XUCDYRWWRZBNCQ-MFLKKAITSA-N +BMDB62747 785.593455667 PC(18:1(9E)/18:1(9E)) C44H84NO8P SNKAWJBJQDLSFF-PKSSMFHRSA-N +BMDB62749 703.515205345 PC(18:1(9Z)/12:0) C38H74NO8P KVJSTSHUTARPIN-UAIAYBLDSA-N +BMDB62750 717.530855409 PC(18:1(9Z)/13:0) C39H76NO8P IGTKDXNVLGHPAA-PLOGQBHYSA-N +BMDB62751 773.593455667 PC(18:1(9Z)/17:0) C43H84NO8P MFHIZGSSDZJFKD-IYEJTHTFSA-N +BMDB62753 715.515205345 PC(18:2(9Z,12Z)/13:0) C39H74NO8P RFJWWQWWVQESGK-HFWMYYSASA-N +BMDB62754 771.577805602 PC(18:2(9Z,12Z)/17:0) C43H82NO8P MJWAVUYQCBFFHQ-WESJWMGVSA-N +BMDB62755 811.609105731 PC(18:2(9Z,12Z)/20:1(13Z)) C46H86NO8P VQHXLFJRJYRJKV-IIRKCDRKSA-N +BMDB62756 769.562155538 PC(18:3(6Z,9Z,12Z)/17:0) C43H80NO8P PUHAYEBYJPOIQY-MZWPLUPDSA-N +BMDB62757 769.562155538 PC(18:3(9Z,12Z,15Z)/17:0) C43H80NO8P GCHJOKRHLDGHKV-CAPSFDDTSA-N +BMDB62758 691.515205345 PC(19:0/10:0) C37H74NO8P KPRFWGHYCQLGIB-PGUFJCEWSA-N +BMDB62759 705.530855409 PC(19:0/11:0) C38H76NO8P CLIZQKAVTJPDEN-PSXMRANNSA-N +BMDB62760 719.546505474 PC(19:0/12:0) C39H78NO8P DXWQYRCWRLUKOS-DIPNUNPCSA-N +BMDB62761 733.562155538 PC(19:0/13:0) C40H80NO8P DKJFFVQSQABKEK-KXQOOQHDSA-N +BMDB62762 747.577805602 PC(19:0/14:0) C41H82NO8P ICFUPYGUNPVSGP-LDLOPFEMSA-N +BMDB62763 745.562155538 PC(19:0/14:1(9Z)) C41H80NO8P GOHYYOQGBYBAOF-DTKYWWSASA-N +BMDB62764 761.593455667 PC(19:0/15:0) C42H84NO8P UPCIYBKCVDLVKU-RRHRGVEJSA-N +BMDB62765 775.609105731 PC(19:0/16:0) C43H86NO8P RVFNLUBQFSKSDF-VQJSHJPSSA-N +BMDB62766 773.593455667 PC(19:0/16:1(9Z)) C43H84NO8P TYYCWWRIQSAMHL-HVLKLTLRSA-N +BMDB62767 789.624755796 PC(19:0/17:0) C44H88NO8P OQLHGHFYLRSIBN-HUESYALOSA-N +BMDB62768 803.64040586 PC(19:0/18:0) C45H90NO8P BRXGZTCFEWZBRM-VZUYHUTRSA-N +BMDB62770 705.530855409 PC(20:0/10:0) C38H76NO8P MTTZRTHCTZNGFG-PSXMRANNSA-N +BMDB62771 719.546505474 PC(20:0/11:0) C39H78NO8P NLEPZIUGLKQAFD-DIPNUNPCSA-N +BMDB62772 733.562155053 PC(20:0/12:0) C40H80NO8P OEKBHTCWCOFVKC-KXQOOQHDSA-N +BMDB62773 747.577805602 PC(20:0/13:0) C41H82NO8P CJNXCVHAGWTVKV-LDLOPFEMSA-N +BMDB62774 803.64040586 PC(20:0/17:0) C45H90NO8P NQDMCNOOWGQYBO-VZUYHUTRSA-N +BMDB62775 839.64040586 PC(20:0/20:3(11Z,14Z,17Z)) C48H90NO8P REABNEVSLLNWCN-NEUZZYPFSA-N +BMDB62776 691.515205345 PC(20:0/9:0) C37H74NO8P YTMYGNSSWREFBW-PGUFJCEWSA-N +BMDB62777 731.546505474 PC(20:1(11Z)/12:0) C40H78NO8P XIRHBJHIIUMUKR-YWTUKGCKSA-N +BMDB62778 745.562155538 PC(20:1(11Z)/13:0) C41H80NO8P FOVVQGVAJUZWET-DPTAKULKSA-N +BMDB62780 729.530854925 PC(20:2(11Z,14Z)/12:0) C40H76NO8P ADIAWBPVWHYXNV-JSHIBXJCSA-N +BMDB62781 743.546505474 PC(20:2(11Z,14Z)/13:0) C41H78NO8P GYFILLBYNRTMGU-ZSIBMOKUSA-N +BMDB62782 727.515205345 PC(20:3(8Z,11Z,14Z)/12:0) C40H74NO8P IVCMKVDNISHOEW-XDBAXXFZSA-N +BMDB62783 781.562155538 PC(20:4(8E,11E,14E,17E)/16:0) C44H80NO8P JWAPTBDWCHGPTG-JQQBZAOGSA-N +BMDB62784 719.546505474 PC(21:0/10:0) C39H78NO8P FXZOHFRKKZKXPD-DIPNUNPCSA-N +BMDB62785 733.562155538 PC(21:0/11:0) C40H80NO8P NRPOMZRRLOEOKX-KXQOOQHDSA-N +BMDB62786 747.577805602 PC(21:0/12:0) C41H82NO8P ZEQNNYKWRFDTGA-LDLOPFEMSA-N +BMDB62787 761.593455667 PC(21:0/13:0) C42H84NO8P LVVWZXOZKXLVLZ-RRHRGVEJSA-N +BMDB62788 775.609105731 PC(21:0/14:0) C43H86NO8P ALLHTRSITKAMHF-VQJSHJPSSA-N +BMDB62789 773.593455667 PC(21:0/14:1(9Z)) C43H84NO8P JLMJHJHQZIEXTR-XTSQRIEGSA-N +BMDB62790 789.624755796 PC(21:0/15:0) C44H88NO8P GAYMLEAVRJPZQZ-HUESYALOSA-N +BMDB62791 803.64040586 PC(21:0/16:0) C45H90NO8P VCWGWIAETRVTSS-VZUYHUTRSA-N +BMDB62793 733.562155538 PC(22:0/10:0) C40H80NO8P VSXSGSFCMUCJEP-KXQOOQHDSA-N +BMDB62794 747.577805602 PC(22:0/11:0) C41H82NO8P UDZHTHXFNTYZET-LDLOPFEMSA-N +BMDB62795 761.593455667 PC(22:0/12:0) C42H84NO8P MCNGJGRPYKOAMP-RRHRGVEJSA-N +BMDB62796 775.609105731 PC(22:0/13:0) C43H86NO8P JXUNNMKLYVGIJB-VQJSHJPSSA-N +BMDB62797 753.530855409 PC(22:4(7Z,10Z,13Z,16Z)/12:0) C42H76NO8P MGGLQCYIGIKUIE-SRHQVDMPSA-N +BMDB62798 691.515205345 PC(8:0/21:0) C37H74NO8P XZKUOSQHYOWFDI-PGUFJCEWSA-N +BMDB62799 691.515205345 PC(9:0/20:0) C37H74NO8P XQHFCKHXMOVTPR-PGUFJCEWSA-N +BMDB62800 705.530855409 PC(9:0/21:0) C38H76NO8P DUIXEMAPYZKKBI-PSXMRANNSA-N +BMDB62801 719.546505474 PC(9:0/22:0) C39H78NO8P RGNMOUGZXRAJNF-DIPNUNPCSA-N +BMDB62802 733.562155538 PC(9:0/23:0) C40H80NO8P HVWSSWJXFOIYDD-KXQOOQHDSA-N +BMDB62803 717.567240431 PC(O-14:0/18:1(9Z)) C40H80NO7P KKCGBTJTPQETOY-KUNNKMQBSA-N +BMDB62804 715.551590367 PC(O-14:0/18:2(9Z,12Z)) C40H78NO7P IWGRIIUADPXTSC-UESLNCBNSA-N +BMDB62805 775.64549124 PC(O-14:0/22:0) C44H90NO7P KRRFXAFWBWXGHS-VZUYHUTRSA-N +BMDB62807 691.551590854 PC(O-16:0/14:0) C38H78NO7P WYKBXGAXGHENAM-DIPNUNPCSA-N +BMDB62808 745.598540559 PC(O-16:0/18:1(9Z)) C42H84NO7P SIEDNCDNGMIKST-IYEJTHTFSA-N +BMDB62809 741.567240918 PC(O-16:0/18:3(6Z,9Z,12Z)) C42H80NO7P QEWRXEALGMKRGP-MZWPLUPDSA-N +BMDB62810 741.567240431 PC(O-16:0/18:3(9Z,12Z,15Z)) C42H80NO7P AZHDIOOLUSYGPE-CAPSFDDTSA-N +BMDB62811 773.629841176 PC(O-16:0/20:1(11Z)) C44H88NO7P RZVLQGOIANISBO-GRVDSVFJSA-N +BMDB62812 771.614190623 PC(O-16:0/20:2(11Z,14Z)) C44H86NO7P ZYLPVUZBZNMVMR-ZBBHDILGSA-N +BMDB62813 769.598541047 PC(O-16:0/20:3(8Z,11Z,14Z)) C44H84NO7P VYKSGWCIVDQIQR-MEAIPJDCSA-N +BMDB62814 767.582890982 PC(O-16:0/20:4(5Z,8Z,11Z,14Z)) C44H82NO7P DUUSFCFZBREELS-WWBBCYQPSA-N +BMDB62815 765.567240918 PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) C44H80NO7P YHSSHPWVFALMBA-IARQOZKNSA-N +BMDB62817 793.598541047 PC(O-16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C46H84NO7P VGMPOLIXNOOTMT-HEYUSFSCSA-N +BMDB62819 747.614191111 PC(O-17:0/17:0) C42H86NO7P SLZUFSMGYDSDNB-VQJSHJPSSA-N +BMDB62820 691.551590854 PC(O-18:0/12:0) C38H78NO7P SCBCAJMFNKQLFX-DIPNUNPCSA-N +BMDB62821 717.567240918 PC(O-18:0/14:1(9Z)) C40H80NO7P JAYJLDJDIZHIGU-DTKYWWSASA-N +BMDB62822 747.614190623 PC(O-18:0/16:0) C42H86NO7P GTFLTTXDLGEBAI-VQJSHJPSSA-N +BMDB62823 745.598540559 PC(O-18:0/16:1(9Z)) C42H84NO7P WFFMOIADEZZLFU-HVLKLTLRSA-N +BMDB62824 773.629840687 PC(O-18:0/18:1(9Z)) C44H88NO7P JDBBQTCNJFZWPL-KXTYCBLYSA-N +BMDB62825 769.598541047 PC(O-18:0/18:3(6Z,9Z,12Z)) C44H84NO7P MDZVCBQVXWZBOL-QEGPCSBISA-N +BMDB62826 769.598540559 PC(O-18:0/18:3(9Z,12Z,15Z)) C44H84NO7P GKKOTWSKEIRXDA-JUUDQZDJSA-N +BMDB62827 767.582890982 PC(O-18:0/18:4(6Z,9Z,12Z,15Z)) C44H82NO7P IQGMAFMVIYAJCQ-WHZQUDHQSA-N +BMDB62829 797.629841176 PC(O-18:0/20:3(8Z,11Z,14Z)) C46H88NO7P ITTGOTHIEJWVDA-FMMXMNMWSA-N +BMDB62831 793.598541047 PC(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C46H84NO7P ISUWUEZOULAQMD-WQDQUKPRSA-N +BMDB62832 821.629841176 PC(O-18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C48H88NO7P HJDYJUQFSIJNGA-BGDNETPNSA-N +BMDB62833 793.598540559 PC(O-18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C46H84NO7P VJNPDLZENXBRLB-MQEDXBOASA-N +BMDB62834 747.614190623 PC(O-20:0/14:0) C42H86NO7P WYLXSSKRFXZLGS-VQJSHJPSSA-N +BMDB62835 745.598541047 PC(O-20:0/14:1(9Z)) C42H84NO7P KXGWGPVSNKQXRB-XTSQRIEGSA-N +BMDB62836 775.64549124 PC(O-20:0/16:0) C44H90NO7P LYTUERCDYBANSA-VZUYHUTRSA-N +BMDB62837 773.629840687 PC(O-20:0/16:1(9Z)) C44H88NO7P IMGMENFUBIMZDJ-RPBJOJELSA-N +BMDB62838 803.676791369 PC(O-20:0/18:0) C46H94NO7P FJHUSOLWXAPDEY-WBVITSLISA-N +BMDB62842 821.629841176 PC(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) C48H88NO7P AGKCACWGAXVMPI-BVWWTNGZSA-N +BMDB62858 245.162708229 Pivaloylcarnitine C12H23NO4 YICAQFPUDACYGQ-UHFFFAOYSA-N +BMDB62860 748.658090554 TG(12:0/12:0/20:1(11Z))[iso3] C47H88O6 GRNYLLDULGFJIH-DMKFJGBSSA-N +BMDB62861 746.642440489 TG(12:0/12:0/20:2(11Z,14Z))[iso3] C47H86O6 CVVRPLLCUNBBAA-VOXCOYEFSA-N +BMDB62862 742.61114036 TG(12:0/12:0/20:4(5Z,8Z,11Z,14Z))[iso3] C47H82O6 LYHWFHTYVJGJCI-ZSUQOKDXSA-N +BMDB62863 748.658090554 TG(12:0/14:0/18:1(9Z))[iso6] C47H88O6 MVBJOSAJFXMGHL-MWEXPPKQSA-N +BMDB62864 746.642440489 TG(12:0/14:0/18:2(9Z,12Z))[iso6] C47H86O6 LXHJRBQAAZJFFA-BAGKPWEUSA-N +BMDB62865 742.61114036 TG(12:0/14:0/18:4(6Z,9Z,12Z,15Z))[iso6] C47H82O6 DQTSGDMJXFCFHQ-PNFPWBPJSA-N +BMDB62866 774.673740618 TG(12:0/14:0/20:2(11Z,14Z))[iso6] C49H90O6 CYWGAXSMAHWMGU-VELRQWCZSA-N +BMDB62867 748.658090554 TG(12:0/14:1(9Z)/18:0)[iso6] C47H88O6 AVOSYSUBIBSHKI-HZMXKNRLSA-N +BMDB62868 746.642440489 TG(12:0/14:1(9Z)/18:1(9Z))[iso6] C47H86O6 MBDIKHHUXKJHDN-QUZDWSSOSA-N +BMDB62869 742.61114036 TG(12:0/14:1(9Z)/18:3(6Z,9Z,12Z))[iso6] C47H82O6 IKBGEQZYRUHAHP-HPWCZUARSA-N +BMDB62870 742.61114036 TG(12:0/14:1(9Z)/18:3(9Z,12Z,15Z))[iso6] C47H82O6 AFFSAIPAHKQBQB-BLWWZHSPSA-N +BMDB62871 774.673740618 TG(12:0/14:1(9Z)/20:1(11Z))[iso6] C49H90O6 WEVPBZFUEDNYCR-SWVYRDHKSA-N +BMDB62872 748.658090548 TG(12:0/16:0/16:1(9Z))[iso6] C47H88O6 OUKDNADVOQVFAR-NBTXLFQMSA-N +BMDB62873 774.673740618 TG(12:0/16:0/18:2(9Z,12Z))[iso6] C49H90O6 JORMHQSOEAESEA-XKGSDZNMSA-N +BMDB62874 802.705040747 TG(12:0/16:0/20:2(11Z,14Z))[iso6] C51H94O6 JPEYPDKNKAECDK-KRXHXFEDSA-N +BMDB62875 800.689390682 TG(12:0/16:0/20:3(8Z,11Z,14Z))[iso6] C51H92O6 LSXSLOKSIWRONY-NAQQPVJDSA-N +BMDB62876 826.705040747 TG(12:0/16:0/22:4(7Z,10Z,13Z,16Z))[iso6] C53H94O6 MXNVSGZRQAPTRK-PTHBIUEKSA-N +BMDB62877 746.642440484 TG(12:0/16:1(9Z)/16:1(9Z))[iso3] C47H86O6 LJXSUVSRRMQRRA-WHTYERKGSA-N +BMDB62878 774.673740612 TG(12:0/16:1(9Z)/18:1(9Z))[iso6] C49H90O6 MIEULIUWCBAVBF-XXVKYOKDSA-N +BMDB62879 802.705040747 TG(12:0/16:1(9Z)/20:1(11Z))[iso6] C51H94O6 YUFODVPWPWJIPV-DLDHQVKUSA-N +BMDB62880 800.689390682 TG(12:0/16:1(9Z)/20:2(11Z,14Z))[iso6] C51H92O6 CBQKNYIQOAJYOW-CUFXHORCSA-N +BMDB62881 818.736340876 TG(12:0/16:1(9Z)/21:0)[iso6] C52H98O6 NSVUZTVADNFZSD-QHFPHGORSA-N +BMDB62882 832.751990932 TG(12:0/16:1(9Z)/22:0)[iso6] C53H100O6 BUWKZKZKQQRMFN-QNQJCTKXSA-N +BMDB62883 818.736340876 TG(12:0/17:0/20:1(11Z))[iso6] C52H98O6 SCITWUZDHVUOGE-GXPDXSPXSA-N +BMDB62884 816.720690811 TG(12:0/17:0/20:2(11Z,14Z))[iso6] C52H96O6 RPZKNMRSPIPUJS-SYALKDFFSA-N +BMDB62885 840.720690811 TG(12:0/17:0/22:4(7Z,10Z,13Z,16Z))[iso6] C54H96O6 FXUNFLVNPAPRED-NQMIOBIPSA-N +BMDB62886 838.705040747 "TG(12:0/17:0/22:5(7Z,10Z,13Z,16Z,19Z)) [iso6]" C54H94O6 CREXGVDCPQBJHO-PKJNFJNPSA-N +BMDB62887 802.705040747 TG(12:0/18:0/18:2(9Z,12Z))[iso6] C51H94O6 WSEFKAMFRMFZNK-SPCJHRPBSA-N +BMDB62888 800.689390682 TG(12:0/18:0/18:3(6Z,9Z,12Z))[iso6] C51H92O6 ROQIOXAIYDBLMI-XARIDSIQSA-N +BMDB62889 800.689390682 TG(12:0/18:0/18:3(9Z,12Z,15Z))[iso6] C51H92O6 BEHCIKXBZPPALT-GQVMGWSFSA-N +BMDB62890 832.75199094 TG(12:0/18:0/20:1(11Z))[iso6] C53H100O6 QHVHJGFVANFNIG-CMPWZDCQSA-N +BMDB62891 830.736340876 TG(12:0/18:0/20:2(11Z,14Z))[iso6] C53H98O6 VAVYYRAXCZMJLD-KMNFNRKXSA-N +BMDB62892 828.720690811 TG(12:0/18:0/20:3(8Z,11Z,14Z))[iso6] C53H96O6 XGLSJRPIBRAFDY-LPYJYWNVSA-N +BMDB62893 826.705040747 TG(12:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] C53H94O6 XPMVBSKNIWWAQA-XXNCSQTHSA-N +BMDB62894 854.736340876 TG(12:0/18:0/22:4(7Z,10Z,13Z,16Z))[iso6] C55H98O6 NVMOFUULIGVOLA-QNEBYKNYSA-N +BMDB62895 852.720690811 TG(12:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C55H96O6 ZZEBATNCADRNOB-BNRFIZLMSA-N +BMDB62896 802.705040747 TG(12:0/18:1(9Z)/18:1(9Z))[iso3] C51H94O6 SJWUGKDDADDDHD-BIUCBCRNSA-N +BMDB62897 800.689390682 TG(12:0/18:1(9Z)/18:2(9Z,12Z))[iso6] C51H92O6 PURPKTYKZMLEGI-QEKZCQACSA-N +BMDB62898 818.736340876 TG(12:0/18:1(9Z)/19:0)[iso6] C52H98O6 XQZVDLLWOJQTSL-XXPSLULPSA-N +BMDB62899 832.75199094 TG(12:0/18:1(9Z)/20:0)[iso6] C53H100O6 MQIVOLLFTNWBMM-OFDKUCQMSA-N +BMDB62900 830.736340876 TG(12:0/18:1(9Z)/20:1(11Z))[iso6] C53H98O6 ZCLLAQIDPCDZRM-HNGXOCJTSA-N +BMDB62901 828.720690811 TG(12:0/18:1(9Z)/20:2(11Z,14Z))[iso6] C53H96O6 OPHWHXJWWWOVLK-ACSMYIIGSA-N +BMDB62902 826.705040747 TG(12:0/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6] C53H94O6 VUBLNAWUBCVBJY-ACUVDGSDSA-N +BMDB62903 846.767641004 TG(12:0/18:1(9Z)/21:0)[iso6] C54H102O6 CKFJANRMGDOEHT-PPMFZCQMSA-N +BMDB62904 852.720690811 TG(12:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C55H96O6 FZYJOKBEHYPLBA-BOHSMEDASA-N +BMDB62905 816.720690811 TG(12:0/18:2(9Z,12Z)/19:0)[iso6] C52H96O6 NZCVNPXNRZNFIR-WVPRYWMKSA-N +BMDB62906 830.736340876 TG(12:0/18:2(9Z,12Z)/20:0)[iso6] C53H98O6 IRKYEXPJVDQYNO-IJYOWDINSA-N +BMDB62907 828.720690811 TG(12:0/18:2(9Z,12Z)/20:1(11Z))[iso6] C53H96O6 VNOFKXSESRNPPT-ZABPPORYSA-N +BMDB62908 826.705040747 TG(12:0/18:2(9Z,12Z)/20:2(11Z,14Z))[iso6] C53H94O6 JAEXCRFFNQOZAF-CMNUMAMVSA-N +BMDB62909 844.75199094 TG(12:0/18:2(9Z,12Z)/21:0)[iso6] C54H100O6 ZNCSECOGHWMXLF-BSBIHGEKSA-N +BMDB62910 858.767641004 TG(12:0/18:2(9Z,12Z)/22:0)[iso6] C55H102O6 PDAHUZARCINDIF-RJIJAMFVSA-N +BMDB62911 828.720690811 TG(12:0/18:3(6Z,9Z,12Z)/20:0)[iso6] C53H96O6 KUABSKFJNSJJCC-WAROSUMPSA-N +BMDB62912 826.705040747 TG(12:0/18:3(6Z,9Z,12Z)/20:1(11Z))[iso6] C53H94O6 GGUBZFSQITUOPH-QCNDHAFKSA-N +BMDB62913 842.736340876 TG(12:0/18:3(6Z,9Z,12Z)/21:0)[iso6] C54H98O6 ONSMCHKWMPFEEO-ZFGOWBRTSA-N +BMDB62914 856.75199094 TG(12:0/18:3(6Z,9Z,12Z)/22:0)[iso6] C55H100O6 PECCGPPZHUNPLO-OIYVKBHPSA-N +BMDB62915 828.720690811 TG(12:0/18:3(9Z,12Z,15Z)/20:0)[iso6] C53H96O6 CIKPTEOQBNTCBH-ZWZRIBDXSA-N +BMDB62916 826.705040747 TG(12:0/18:3(9Z,12Z,15Z)/20:1(11Z))[iso6] C53H94O6 NSCKVCVXVJTRRP-WJKXVKGOSA-N +BMDB62917 842.736340876 TG(12:0/18:3(9Z,12Z,15Z)/21:0)[iso6] C54H98O6 YARNUHXFWBMPGT-DTAVFOMFSA-N +BMDB62918 856.75199094 TG(12:0/18:3(9Z,12Z,15Z)/22:0)[iso6] C55H100O6 HKVSAJZAPYFKLS-ULPOXIIISA-N +BMDB62919 826.705040747 TG(12:0/18:4(6Z,9Z,12Z,15Z)/20:0)[iso6] C53H94O6 SFAXDXHZHCYSMY-UCZIVUORSA-N +BMDB62920 840.720690811 TG(12:0/18:4(6Z,9Z,12Z,15Z)/21:0)[iso6] C54H96O6 MSYSVIDEPYGIPJ-QODDASNGSA-N +BMDB62921 854.736340876 TG(12:0/18:4(6Z,9Z,12Z,15Z)/22:0)[iso6] C55H98O6 RZXVPZVEHCHXOZ-UIKBNQDNSA-N +BMDB62922 846.767641004 TG(12:0/19:0/20:1(11Z))[iso6] C54H102O6 ZJAMPDZFZUXTNF-CPVPHCQOSA-N +BMDB62923 844.75199094 TG(12:0/19:0/20:2(11Z,14Z))[iso6] C54H100O6 DDWWNLPQVFVVHK-AZJVGZRGSA-N +BMDB62924 842.736340876 TG(12:0/19:0/20:3(8Z,11Z,14Z))[iso6] C54H98O6 VYFUIGAABXGCHN-KNQBBJAXSA-N +BMDB62925 840.720690811 TG(12:0/19:0/20:4(5Z,8Z,11Z,14Z))[iso6] C54H96O6 PRJVEYMTIMLMKT-IOWPNFBQSA-N +BMDB62926 838.705040747 "TG(12:0/19:0/20:5(5Z,8Z,11Z,14Z,17Z)) [iso6]" C54H94O6 IBMHCOHGVKCHST-PDYQZEQOSA-N +BMDB62927 868.75199094 TG(12:0/19:0/22:4(7Z,10Z,13Z,16Z))[iso6] C56H100O6 HSPFBEZCZCSGHP-OHYWWWSCSA-N +BMDB62928 866.736340876 TG(12:0/19:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C56H98O6 UZESERBCFQEOJN-ZHRHQZFOSA-N +BMDB62929 864.720690811 TG(12:0/19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C56H96O6 ZJMCMRBZPWIKOR-SROFBIQXSA-N +BMDB62930 858.767641004 TG(12:0/20:0/20:2(11Z,14Z))[iso6] C55H102O6 SVXLLGLOBZCVOX-DFVOHZRTSA-N +BMDB62931 856.75199094 TG(12:0/20:0/20:3(8Z,11Z,14Z))[iso6] C55H100O6 WVVSIJRZVJIVCG-QJWPNMPZSA-N +BMDB62932 854.736340876 TG(12:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C55H98O6 JZPVBZYHZFOOSG-LRVQMSRGSA-N +BMDB62933 852.720690811 TG(12:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C55H96O6 QXIJWHIKLQHJPN-RBOLYARQSA-N +BMDB62934 882.767641004 TG(12:0/20:0/22:4(7Z,10Z,13Z,16Z))[iso6] C57H102O6 RKORFIGATZMSDF-AOVPCCCBSA-N +BMDB62935 880.75199094 TG(12:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C57H100O6 XFSYXEGJYOCSNZ-GWANBXFOSA-N +BMDB62936 878.736340876 TG(12:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C57H98O6 XFUIHQAOPZPIMB-DWMOCKPMSA-N +BMDB62937 858.767641004 TG(12:0/20:1(11Z)/20:1(11Z))[iso3] C55H102O6 ITKPTVCPGKAUSR-IWSWCIDJSA-N +BMDB62938 856.75199094 TG(12:0/20:1(11Z)/20:2(11Z,14Z))[iso6] C55H100O6 GQRHFSUEYMNFGP-LXXYRXIYSA-N +BMDB62939 854.736340876 TG(12:0/20:1(11Z)/20:3(8Z,11Z,14Z))[iso6] C55H98O6 SOLVSVVHDNLWGB-GNNBUCJLSA-N +BMDB62940 852.720690811 TG(12:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C55H96O6 SFNMQJOWSONERD-IWHWYHGVSA-N +BMDB62941 880.75199094 TG(12:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C57H100O6 IZOVEEZIPGFTHR-UXIHGXOZSA-N +BMDB62942 878.736340876 TG(12:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C57H98O6 ISSDVCAZGDNZNW-HRAXXNFGSA-N +BMDB62943 854.736340876 TG(12:0/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3] C55H98O6 APQSFWXWFHPYLD-FKEXGYHUSA-N +BMDB62944 852.720690811 TG(12:0/20:2(11Z,14Z)/20:3(8Z,11Z,14Z))[iso6] C55H96O6 CZWWDPZCCBALQM-MYAVJQEESA-N +BMDB62945 886.798941133 TG(12:0/20:2(11Z,14Z)/22:0)[iso6] C57H106O6 ZYUCRKVOUJUNFA-HOEKCBGGSA-N +BMDB62946 878.736340876 TG(12:0/20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C57H98O6 YPRWJPINHXHUPY-VWYADHDBSA-N +BMDB62947 870.767641004 TG(12:0/20:3(8Z,11Z,14Z)/21:0)[iso6] C56H102O6 QKRBLQDGBRLIGM-FZFUUPADSA-N +BMDB62948 884.783291069 TG(12:0/20:3(8Z,11Z,14Z)/22:0)[iso6] C57H104O6 VLHYRMSJLUACJA-ULWAXZTGSA-N +BMDB62949 868.75199094 TG(12:0/20:4(5Z,8Z,11Z,14Z)/21:0)[iso6] C56H100O6 MVCFRDRRHPCLEV-HRAXAERFSA-N +BMDB62950 882.767641004 TG(12:0/20:4(5Z,8Z,11Z,14Z)/22:0)[iso6] C57H102O6 MGQMGGUWTIFWOC-VPBVQAAPSA-N +BMDB62951 866.736340876 TG(12:0/20:5(5Z,8Z,11Z,14Z,17Z)/21:0)[iso6] C56H98O6 OZFGEFDUPOAJMN-TUDOIWDXSA-N +BMDB62952 880.75199094 TG(12:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)[iso6] C57H100O6 CVUCKDOPJGVEGC-FNCINDQMSA-N +BMDB62953 892.75199094 TG(12:0/21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C58H100O6 JHHGYOALRGWULX-BFHMNYGESA-N +BMDB62954 906.767641004 TG(12:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C59H102O6 DBVWYMAAALQYDW-XKAYJYMOSA-N +BMDB62955 748.658090554 TG(13:0/13:0/18:1(9Z))[iso3] C47H88O6 GGVPEFFSCWJNIA-XKAIORBZSA-N +BMDB62956 746.642440489 TG(13:0/13:0/18:2(9Z,12Z))[iso3] C47H86O6 WCSHVUBSHKREDG-PLMXUYPHSA-N +BMDB62957 742.61114036 TG(13:0/13:0/18:4(6Z,9Z,12Z,15Z))[iso3] C47H82O6 ZDGQXLQHDMBLIA-DNWRMTKGSA-N +BMDB62958 774.673740618 TG(13:0/13:0/20:2(11Z,14Z))[iso3] C49H90O6 CHIHFBRVSHTOGA-XKGSDZNMSA-N +BMDB62959 748.658090554 TG(13:0/14:1(9Z)/17:0)[iso6] C47H88O6 NYTHUGZAKYLXQB-HZMXKNRLSA-N +BMDB62960 818.736340876 TG(13:0/14:1(9Z)/22:0)[iso6] C52H98O6 HMIFSEWNIWVFIH-XYCSPTTKSA-N +BMDB62961 748.658090554 TG(13:0/15:0/16:1(9Z))[iso6] C47H88O6 NWMBZDQXLSCPKA-WVSHCNQOSA-N +BMDB62962 774.673740618 TG(13:0/15:0/18:2(9Z,12Z))[iso6] C49H90O6 IUDOKIABRZVDOI-XAOJWIKWSA-N +BMDB62963 802.705040747 TG(13:0/15:0/20:2(11Z,14Z))[iso6] C51H94O6 RASDPAORLPVSRI-CAMLYDKOSA-N +BMDB62964 800.689390682 TG(13:0/15:0/20:3(8Z,11Z,14Z))[iso6] C51H92O6 XTIXMOHKZTYZBK-OIKKTVPGSA-N +BMDB62965 826.705040747 TG(13:0/15:0/22:4(7Z,10Z,13Z,16Z))[iso6] C53H94O6 RJZNVPSSFBYEQG-BIPRTJSSSA-N +BMDB62966 818.736340876 TG(13:0/16:0/20:1(11Z))[iso6] C52H98O6 XVLAWFCHGNBVMP-ZAHSUTTFSA-N +BMDB62967 816.720690811 TG(13:0/16:0/20:2(11Z,14Z))[iso6] C52H96O6 OKUVFELQPOGWIP-UZCVOGOFSA-N +BMDB62968 840.720690811 TG(13:0/16:0/22:4(7Z,10Z,13Z,16Z))[iso6] C54H96O6 VYBIOIYDPQZXCL-FXFXKYDVSA-N +BMDB62969 838.705040747 "TG(13:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)) [iso6]" C54H94O6 PSZFRKPKXBAWCL-PGPPVNBKSA-N +BMDB62970 818.736340876 TG(13:0/16:1(9Z)/20:0)[iso6] C52H98O6 RKHRZOFBRXROOF-KMTXBVSESA-N +BMDB62971 816.720690811 TG(13:0/16:1(9Z)/20:1(11Z))[iso6] C52H96O6 HXLJROVZNRBAEI-GHVXXPGQSA-N +BMDB62972 832.75199094 TG(13:0/16:1(9Z)/21:0)[iso6] C53H100O6 YBSVRQOYFXBGQD-DKKVYINCSA-N +BMDB62973 846.767641004 TG(13:0/16:1(9Z)/22:0)[iso6] C54H102O6 SVNKNRVTRHEZLT-FECCDXIYSA-N +BMDB62974 838.705040747 "TG(13:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) [iso6]" C54H94O6 FNTLKBBHGHNWDC-GXUXFMQRSA-N +BMDB62975 802.705040747 TG(13:0/17:0/18:2(9Z,12Z))[iso6] C51H94O6 OZJYKACPBBLZSG-ZRCXKCERSA-N +BMDB62976 800.689390682 TG(13:0/17:0/18:3(6Z,9Z,12Z))[iso6] C51H92O6 JQSYLJUKYGRJSK-NLXZCDGQSA-N +BMDB62977 800.689390682 TG(13:0/17:0/18:3(9Z,12Z,15Z))[iso6] C51H92O6 KAEPXNLYZDRZMB-JCEPAQEVSA-N +BMDB62978 832.75199094 TG(13:0/17:0/20:1(11Z))[iso6] C53H100O6 CVOIZWDZHGKEOI-IHQTTYFESA-N +BMDB62979 830.736340876 TG(13:0/17:0/20:2(11Z,14Z))[iso6] C53H98O6 QPFDNHJFFVQVBS-GLRQSATNSA-N +BMDB62980 828.720690811 TG(13:0/17:0/20:3(8Z,11Z,14Z))[iso6] C53H96O6 ZKJGYVGAJPHYFC-JNLCAOHFSA-N +BMDB62981 826.705040747 TG(13:0/17:0/20:4(5Z,8Z,11Z,14Z))[iso6] C53H94O6 LRPVSDFSGZQPBM-NTMDFEFCSA-N +BMDB62982 854.736340876 TG(13:0/17:0/22:4(7Z,10Z,13Z,16Z))[iso6] C55H98O6 QVKNIVNDYMBGDU-FNFGEXBTSA-N +BMDB62983 852.720690811 TG(13:0/17:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C55H96O6 AHUWPHLEHINDNR-ZIDJEGDISA-N +BMDB62984 818.736340876 TG(13:0/18:0/18:1(9Z))[iso6] C52H98O6 QJWQMVKTAVFSDI-XXPSLULPSA-N +BMDB62985 816.720690811 TG(13:0/18:0/18:2(9Z,12Z))[iso6] C52H96O6 MPSZKUJKQLQTGL-LPISRMCOSA-N +BMDB62986 846.767641004 TG(13:0/18:0/20:1(11Z))[iso6] C54H102O6 QUWUOGDVBVKMGQ-MOCMJZBUSA-N +BMDB62987 844.75199094 TG(13:0/18:0/20:2(11Z,14Z))[iso6] C54H100O6 PWZURXUZDLYDSO-WBEHMSRMSA-N +BMDB62988 842.736340876 TG(13:0/18:0/20:3(8Z,11Z,14Z))[iso6] C54H98O6 ZFKDRSAWXWIDMM-VGOOZKSFSA-N +BMDB62989 840.720690811 TG(13:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] C54H96O6 WKJHFGHOTZEQSN-QDDTUDEOSA-N +BMDB62990 838.705040747 "TG(13:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z)) [iso6]" C54H94O6 UNZGAPDOGSJJPO-MCCURMAYSA-N +BMDB62991 868.75199094 TG(13:0/18:0/22:4(7Z,10Z,13Z,16Z))[iso6] C56H100O6 YGUMWAQSARLQFW-CHHNJTPUSA-N +BMDB62992 866.736340876 TG(13:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C56H98O6 HFVHAUAVZCIYCK-BOQCSKEFSA-N +BMDB62993 864.720690811 TG(13:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C56H96O6 CZHDPIRCZCRMPL-KTQAEESXSA-N +BMDB62994 816.720690811 TG(13:0/18:1(9Z)/18:1(9Z))[iso3] C52H96O6 CKCCBJSARYBDHM-IGSPDIOOSA-N +BMDB62995 832.75199094 TG(13:0/18:1(9Z)/19:0)[iso6] C53H100O6 MRFSPTSAEVUAAE-RXQRVFRESA-N +BMDB62996 846.767641004 TG(13:0/18:1(9Z)/20:0)[iso6] C54H102O6 ACQCATAWVAMHOW-WRHVFJBQSA-N +BMDB62997 844.75199094 TG(13:0/18:1(9Z)/20:1(11Z))[iso6] C54H100O6 HLPHIWKXOMMFJW-VXAZLYRPSA-N +BMDB62998 842.736340876 TG(13:0/18:1(9Z)/20:2(11Z,14Z))[iso6] C54H98O6 LQFDWCOUHOLIAZ-XQFFWOKXSA-N +BMDB62999 840.720690811 TG(13:0/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6] C54H96O6 FVIWAMDZIUQJFG-ICFVDTCLSA-N +BMDB63000 838.705040747 "TG(13:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) [iso6]" C54H94O6 FNUNSCUMSTXXAA-SNLCNMJCSA-N +BMDB63001 866.736340876 TG(13:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C56H98O6 SKGYSQPNOVMJNM-ZZDJFGAMSA-N +BMDB63002 864.720690811 TG(13:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C56H96O6 RKIMJDOKUVKTAO-OTTILKOXSA-N +BMDB63003 830.736340876 TG(13:0/18:2(9Z,12Z)/19:0)[iso6] C53H98O6 PEAGXULBJKUAIC-SCWHSDSMSA-N +BMDB63004 844.75199094 TG(13:0/18:2(9Z,12Z)/20:0)[iso6] C54H100O6 VLBFRGUWJIXFOW-UVCOXGRGSA-N +BMDB63005 842.736340876 TG(13:0/18:2(9Z,12Z)/20:1(11Z))[iso6] C54H98O6 POBJFNDKDPKMRR-ZUKCBSEISA-N +BMDB63006 840.720690811 TG(13:0/18:2(9Z,12Z)/20:2(11Z,14Z))[iso6] C54H96O6 YTKDKIKYOWJUBZ-UTYKXLKPSA-N +BMDB63007 838.705040747 "TG(13:0/18:2(9Z,12Z)/20:3(8Z,11Z,14Z)) [iso6]" C54H94O6 RJDDQDDFVRXSER-UGJPQIPGSA-N +BMDB63008 858.767641004 TG(13:0/18:2(9Z,12Z)/21:0)[iso6] C55H102O6 CNPYKTUWCNLZQA-JPCNOYOISA-N +BMDB63009 864.720690811 TG(13:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C56H96O6 KBAFIDSGAZQARH-XRIMMKGCSA-N +BMDB63010 828.720690811 TG(13:0/18:3(6Z,9Z,12Z)/19:0)[iso6] C53H96O6 MKJAQODNPUUQJU-SOGCOJPQSA-N +BMDB63011 842.736340876 TG(13:0/18:3(6Z,9Z,12Z)/20:0)[iso6] C54H98O6 QXUCOIAXMVMJPL-UBHNKEJASA-N +BMDB63012 840.720690811 TG(13:0/18:3(6Z,9Z,12Z)/20:1(11Z))[iso6] C54H96O6 TYSISORFUUEKNA-XWRNPFKMSA-N +BMDB63013 838.705040747 "TG(13:0/18:3(6Z,9Z,12Z)/20:2(11Z,14Z)) [iso6]" C54H94O6 HIZLCDUBCWMXSQ-YSZLBLERSA-N +BMDB63014 856.75199094 TG(13:0/18:3(6Z,9Z,12Z)/21:0)[iso6] C55H100O6 KCSFDVNMTBKNRH-BEOILNTPSA-N +BMDB63015 870.767641004 TG(13:0/18:3(6Z,9Z,12Z)/22:0)[iso6] C56H102O6 ZBMXEESYDQWCQB-HMSZEYHWSA-N +BMDB63016 828.720690811 TG(13:0/18:3(9Z,12Z,15Z)/19:0)[iso6] C53H96O6 XCRVZQKOXHLKQX-YUIQGFHTSA-N +BMDB63017 842.736340876 TG(13:0/18:3(9Z,12Z,15Z)/20:0)[iso6] C54H98O6 WKYHJLWZNBYHAB-AEKSPWCTSA-N +BMDB63018 840.720690811 TG(13:0/18:3(9Z,12Z,15Z)/20:1(11Z))[iso6] C54H96O6 XGAFWZHWPWRYRV-JCCKQUIFSA-N +BMDB63019 838.705040747 "TG(13:0/18:3(9Z,12Z,15Z)/20:2(11Z,14Z)) [iso6]" C54H94O6 GITROKWKDRHGHQ-TVTDUOMKSA-N +BMDB63020 856.75199094 TG(13:0/18:3(9Z,12Z,15Z)/21:0)[iso6] C55H100O6 FRHOLDLEYVPPSH-VQGSQCRJSA-N +BMDB63021 870.767641004 TG(13:0/18:3(9Z,12Z,15Z)/22:0)[iso6] C56H102O6 WQADSUPBDNWBQM-UDHMGBOHSA-N +BMDB63022 826.705040747 TG(13:0/18:4(6Z,9Z,12Z,15Z)/19:0)[iso6] C53H94O6 XECCMAXKFAAKSU-LOHFTLRCSA-N +BMDB63023 840.720690811 TG(13:0/18:4(6Z,9Z,12Z,15Z)/20:0)[iso6] C54H96O6 CYGLTSNZHJSZCI-FPVDUJBWSA-N +BMDB63024 838.705040747 "TG(13:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z)) [iso6]" C54H94O6 QUNPQBBDPLOGIB-UKIVMDHSSA-N +BMDB63025 854.736340876 TG(13:0/18:4(6Z,9Z,12Z,15Z)/21:0)[iso6] C55H98O6 NUKNGHBZJMVIRF-IZJXHMBISA-N +BMDB63026 868.75199094 TG(13:0/18:4(6Z,9Z,12Z,15Z)/22:0)[iso6] C56H100O6 GUYIIRIEUDZMHW-OIRFYMOQSA-N +BMDB63027 858.767641004 TG(13:0/19:0/20:2(11Z,14Z))[iso6] C55H102O6 GGDFLPOOONJXKF-XQHUZZSBSA-N +BMDB63028 856.75199094 TG(13:0/19:0/20:3(8Z,11Z,14Z))[iso6] C55H100O6 SKEHTPDBNRFSFP-BGMXHFECSA-N +BMDB63029 854.736340876 TG(13:0/19:0/20:4(5Z,8Z,11Z,14Z))[iso6] C55H98O6 FBZFBASQMCMBJP-GQVSLKNLSA-N +BMDB63030 852.720690811 TG(13:0/19:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C55H96O6 KTDQXVPKYOJWOG-XGBCWUNFSA-N +BMDB63031 882.767641004 TG(13:0/19:0/22:4(7Z,10Z,13Z,16Z))[iso6] C57H102O6 XXRRJDZBDOTZKQ-XRTBBFENSA-N +BMDB63032 880.75199094 TG(13:0/19:0/22:5(7Z,10Z,13Z,16Z,19Z)) C57H100O6 PCIGODHFXXZPQE-ZDXQVSIVSA-N +BMDB63033 878.736340876 TG(13:0/19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C57H98O6 RNYPYOLUVPCWFW-QCPSIIGFSA-N +BMDB63034 870.767641004 TG(13:0/20:0/20:3(8Z,11Z,14Z))[iso6] C56H102O6 VRICKTNJSPGHHB-QPBGLANQSA-N +BMDB63035 868.75199094 TG(13:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C56H100O6 VSGSABBJUHCJEP-UNUKUHHDSA-N +BMDB63036 866.736340876 TG(13:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C56H98O6 HXJUQDNTHUHKNC-SBCLTYBFSA-N +BMDB63037 892.75199094 TG(13:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C58H100O6 QGVGATHFHMISPE-MGVKHULLSA-N +BMDB63038 870.767641004 TG(13:0/20:1(11Z)/20:2(11Z,14Z))[iso6] C56H102O6 RLYKBVXUOITRNC-YYFIIFAWSA-N +BMDB63039 868.75199094 TG(13:0/20:1(11Z)/20:3(8Z,11Z,14Z))[iso6] C56H100O6 GVATYCQPFPPDCU-PQBFTWPVSA-N +BMDB63040 866.736340876 TG(13:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C56H98O6 WKMQXAWGDBGPLW-WPECZBSESA-N +BMDB63041 864.720690811 TG(13:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C56H96O6 XYZTXZZQLIABPO-JSIQVRSFSA-N +BMDB63042 892.75199094 TG(13:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C58H100O6 RAYBRQHFOJPEHD-SYJZTXSGSA-N +BMDB63043 890.736340876 TG(13:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C58H98O6 SNWAOGURWHHSCC-YCJWTOGFSA-N +BMDB63044 868.75199094 TG(13:0/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3] C56H100O6 WBAIDSIARPKCRG-WEVISBAQSA-N +BMDB63045 866.736340876 TG(13:0/20:2(11Z,14Z)/20:3(8Z,11Z,14Z))[iso6] C56H98O6 WAUCVVAHGQIVSW-UYDYAKRYSA-N +BMDB63046 864.720690811 TG(13:0/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C56H96O6 XCXAOKOIHAJPDA-ZGASUQONSA-N +BMDB63047 886.798941133 TG(13:0/20:2(11Z,14Z)/21:0)[iso6] C57H106O6 DVXHSMSOPLCBJA-JGWBZRBGSA-N +BMDB63048 892.75199094 TG(13:0/20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C58H100O6 HLYUUJHRBVGOGI-BATKRMTGSA-N +BMDB63049 890.736340876 TG(13:0/20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C58H98O6 DOKKYCNIKZOORW-IPMKVYKCSA-N +BMDB63050 888.720690811 TG(13:0/20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C58H96O6 IJSODANHJUMVFP-MGHIJNBKSA-N +BMDB63051 884.783291069 TG(13:0/20:3(8Z,11Z,14Z)/21:0)[iso6] C57H104O6 MEKRZPGBUSDGMQ-LXYUNERFSA-N +BMDB63052 890.736340876 TG(13:0/20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C58H98O6 JXFHTHDRVIFTMW-XVOSIWKKSA-N +BMDB63053 888.720690811 TG(13:0/20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C58H96O6 MYCVZNAVFHAUCQ-KIDMWXMLSA-N +BMDB63054 886.705040747 TG(13:0/20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C58H94O6 MQJSRJLYYUXOOK-XSUKWBRQSA-N +BMDB63055 882.767641004 TG(13:0/20:4(5Z,8Z,11Z,14Z)/21:0)[iso6] C57H102O6 KXKPOODGHPGHKT-YPIPWELVSA-N +BMDB63056 888.720690811 TG(13:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C58H96O6 CIMIOMZMAPARFJ-FLHSXYFGSA-N +BMDB63057 886.705040747 TG(13:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C58H94O6 XXTMTWCTXAVQLO-HDQUPALVSA-N +BMDB63058 880.75199094 TG(13:0/20:5(5Z,8Z,11Z,14Z,17Z)/21:0)[iso6] C57H100O6 OPHPJZGIMUCXFX-YQIUTSFUSA-N +BMDB63059 886.705040747 TG(13:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C58H94O6 LMGZUEVEWZNGID-SXQAAMSVSA-N +BMDB63060 906.767641004 TG(13:0/21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C59H102O6 IDXHCFMUKBIJQY-IOHBTVPBSA-N +BMDB63061 748.658090554 TG(14:0/14:0/16:1(9Z))[iso3] C47H88O6 UZLGGKDLJGDGEY-WVSHCNQOSA-N +BMDB63062 774.673740618 TG(14:0/14:0/18:2(9Z,12Z))[iso3] C49H90O6 PQNMFXNJDJFSAL-XKGSDZNMSA-N +BMDB63063 802.705040747 TG(14:0/14:0/20:2(11Z,14Z))[iso3] C51H94O6 ZBGYWUISVSKLJL-KRXHXFEDSA-N +BMDB63064 800.689390682 TG(14:0/14:0/20:3(8Z,11Z,14Z))[iso3] C51H92O6 PEEVPWLSIPWIPE-VGWLKTBOSA-N +BMDB63065 826.705040747 TG(14:0/14:0/22:4(7Z,10Z,13Z,16Z))[iso3] C53H94O6 HPAQAIDULVVZHU-FQZUNKIWSA-N +BMDB63066 748.658090554 TG(14:0/14:1(9Z)/16:0)[iso6] C47H88O6 JRZPEKVQFIJQHH-YVCFFHMXSA-N +BMDB63067 746.642440489 TG(14:0/14:1(9Z)/16:1(9Z))[iso6] C47H86O6 SGPSMGCUZQMTGS-STQHKGLXSA-N +BMDB63068 774.673740618 TG(14:0/14:1(9Z)/18:1(9Z))[iso6] C49H90O6 UVAHIOIFDNNSJD-KEVWEZDZSA-N +BMDB63069 802.705040747 TG(14:0/14:1(9Z)/20:1(11Z))[iso6] C51H94O6 CONMOUURRLRVRA-CAIRIIBHSA-N +BMDB63070 800.689390682 TG(14:0/14:1(9Z)/20:2(11Z,14Z))[iso6] C51H92O6 WSNMQTIYKBFKOK-RJYCVYMFSA-N +BMDB63071 818.736340876 TG(14:0/14:1(9Z)/21:0)[iso6] C52H98O6 IKQVPNFZYICSKE-FBUBQAPCSA-N +BMDB63072 832.75199094 TG(14:0/14:1(9Z)/22:0)[iso6] C53H100O6 CEYRSRJJGFUDSX-GBDWEMPCSA-N +BMDB63073 818.736340876 TG(14:0/15:0/20:1(11Z))[iso6] C52H98O6 KGFYMRDBADNRFA-ZAHSUTTFSA-N +BMDB63074 816.720690811 TG(14:0/15:0/20:2(11Z,14Z))[iso6] C52H96O6 BNMAVVCRFTYTND-UZCVOGOFSA-N +BMDB63075 840.720690811 TG(14:0/15:0/22:4(7Z,10Z,13Z,16Z))[iso6] C54H96O6 RMSVDGYULQBZFR-NFGOXDIMSA-N +BMDB63076 838.705040747 "TG(14:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z)) [iso6]" C54H94O6 OTBZLUUCZPBSNU-KGKPFOGQSA-N +BMDB63077 802.705040747 TG(14:0/16:0/18:2(9Z,12Z))[iso6] C51H94O6 YUIIXXZIUIOJQY-CAMLYDKOSA-N +BMDB63078 800.689390682 TG(14:0/16:0/18:3(6Z,9Z,12Z))[iso6] C51H92O6 ROOGPSPBLOJPPQ-PWWZPJGCSA-N +BMDB63079 800.689390682 TG(14:0/16:0/18:3(9Z,12Z,15Z))[iso6] C51H92O6 IJXMVNJNIOUHCI-ORBOMGMLSA-N +BMDB63080 832.75199094 TG(14:0/16:0/20:1(11Z))[iso6] C53H100O6 PHAZXJMIZJNKNN-HHPGWUGWSA-N +BMDB63081 830.736340876 TG(14:0/16:0/20:2(11Z,14Z))[iso6] C53H98O6 JBDIRAWBRFQEGE-SDCZMQJWSA-N +BMDB63082 828.720690811 TG(14:0/16:0/20:3(8Z,11Z,14Z))[iso6] C53H96O6 FENAYUACXGWLFP-NEDGZQTDSA-N +BMDB63083 826.705040747 TG(14:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso6] C53H94O6 FKJNKIIHHYXTFQ-YJKKQOLLSA-N +BMDB63084 854.736340876 TG(14:0/16:0/22:4(7Z,10Z,13Z,16Z))[iso6] C55H98O6 SNUZLEOJKMJJKW-BCFIJSIFSA-N +BMDB63085 852.720690811 TG(14:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C55H96O6 PDOWBMFLISSQRT-NBQUYGMKSA-N +BMDB63086 774.673740612 TG(14:0/16:1(9Z)/16:1(9Z))[iso3] C49H90O6 XUEMVUXNOCIHLG-MOFPORNTSA-N +BMDB63087 802.70504074 TG(14:0/16:1(9Z)/18:1(9Z))[iso6] C51H94O6 QABWZGMVIDDGGI-OVSPJMMSSA-N +BMDB63088 800.689390682 TG(14:0/16:1(9Z)/18:2(9Z,12Z))[iso6] C51H92O6 IWSNEFQVYNGXGZ-ZVCBQIARSA-N +BMDB63089 818.736340876 TG(14:0/16:1(9Z)/19:0)[iso6] C52H98O6 WHNAHGSPJXSFHV-KMTXBVSESA-N +BMDB63090 832.75199094 TG(14:0/16:1(9Z)/20:0)[iso6] C53H100O6 ALZSQWYLHHUOEG-DKKVYINCSA-N +BMDB63091 830.736340876 TG(14:0/16:1(9Z)/20:1(11Z))[iso6] C53H98O6 FKZROTPCYKGHJU-MZQJXXGHSA-N +BMDB63092 828.720690811 TG(14:0/16:1(9Z)/20:2(11Z,14Z))[iso6] C53H96O6 QCEMLZQSNJUFFH-FCVOIVFISA-N +BMDB63093 826.705040747 TG(14:0/16:1(9Z)/20:3(8Z,11Z,14Z))[iso6] C53H94O6 VZAVZRSRDZQJRY-WLVAXTOGSA-N +BMDB63094 846.767641004 TG(14:0/16:1(9Z)/21:0)[iso6] C54H102O6 WJPVDXLBCPFXSS-FECCDXIYSA-N +BMDB63095 852.720690811 TG(14:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C55H96O6 XOVZBEYRPDKHAL-GKRGVYQPSA-N +BMDB63096 818.736340876 TG(14:0/17:0/18:1(9Z))[iso6] C52H98O6 KJAOFVHLADOELN-XXPSLULPSA-N +BMDB63097 816.720690811 TG(14:0/17:0/18:2(9Z,12Z))[iso6] C52H96O6 PTMMGTLFYOOVNO-LPISRMCOSA-N +BMDB63098 846.767641004 TG(14:0/17:0/20:1(11Z))[iso6] C54H102O6 CXSSLLNQUCRVGG-MOCMJZBUSA-N +BMDB63099 844.75199094 TG(14:0/17:0/20:2(11Z,14Z))[iso6] C54H100O6 LBNIAXTWTCVEDE-WBEHMSRMSA-N +BMDB63100 842.736340876 TG(14:0/17:0/20:3(8Z,11Z,14Z))[iso6] C54H98O6 WMHOTLLMUILWBX-IZXHHLLQSA-N +BMDB63101 840.720690811 TG(14:0/17:0/20:4(5Z,8Z,11Z,14Z))[iso6] C54H96O6 ZCUUWDYUENHCLL-SBFBTBDOSA-N +BMDB63102 838.705040747 "TG(14:0/17:0/20:5(5Z,8Z,11Z,14Z,17Z)) [iso6]" C54H94O6 DGXUSUPNUXPCCE-YCZYZSMESA-N +BMDB63103 868.75199094 TG(14:0/17:0/22:4(7Z,10Z,13Z,16Z))[iso6] C56H100O6 VQRMNFIGFUTPML-CHHNJTPUSA-N +BMDB63104 866.736340876 TG(14:0/17:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C56H98O6 PTTOWKDHRZUPQZ-BOQCSKEFSA-N +BMDB63105 864.720690811 TG(14:0/17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C56H96O6 WQMFBEABMBKVCF-KTQAEESXSA-N +BMDB63106 832.751990932 TG(14:0/18:0/18:1(9Z))[iso6] C53H100O6 STJWLLYLXYVNSF-IHQTTYFESA-N +BMDB63107 830.736340876 TG(14:0/18:0/18:2(9Z,12Z))[iso6] C53H98O6 PQNLYGDUOQNSNZ-GLRQSATNSA-N +BMDB63108 828.720690811 TG(14:0/18:0/18:3(6Z,9Z,12Z))[iso6] C53H96O6 WPIXNLNRUFBFSX-DLSBFYMWSA-N +BMDB63109 828.720690811 TG(14:0/18:0/18:3(9Z,12Z,15Z))[iso6] C53H96O6 HYCJEHMBNSROSN-RUNKTZMNSA-N +BMDB63110 826.705040747 TG(14:0/18:0/18:4(6Z,9Z,12Z,15Z))[iso6] C53H94O6 HBXDNORVVBXTEO-KNHXRVBBSA-N +BMDB63111 858.767641004 TG(14:0/18:0/20:2(11Z,14Z))[iso6] C55H102O6 QXBLJSPUDMDKNU-XQHUZZSBSA-N +BMDB63112 856.75199094 TG(14:0/18:0/20:3(8Z,11Z,14Z))[iso6] C55H100O6 ZYFACDKCDVPZSE-XVPMAZIESA-N +BMDB63113 854.736340876 TG(14:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] C55H98O6 NOCKWBKJMQWVLP-LWZVRTLFSA-N +BMDB63114 852.720690811 TG(14:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C55H96O6 JYQXYTFYWDKLPT-ZRSFBRENSA-N +BMDB63115 882.767641004 TG(14:0/18:0/22:4(7Z,10Z,13Z,16Z))[iso6] C57H102O6 XEOFILXSSITART-SRWRNLDESA-N +BMDB63116 880.75199094 TG(14:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C57H100O6 IEIOCZLRHWBWAA-VFYQEISLSA-N +BMDB63117 878.736340876 TG(14:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C57H98O6 SRTYEBAWRUTXIT-DYVCWNEUSA-N +BMDB63118 830.736340876 TG(14:0/18:1(9Z)/18:1(9Z))[iso3] C53H98O6 AFLXUGKIZQFJJI-FOQOAFKKSA-N +BMDB63119 828.720690811 TG(14:0/18:1(9Z)/18:2(9Z,12Z))[iso6] C53H96O6 LVCDKQHOIIGWET-NLSPPTNKSA-N +BMDB63120 826.705040747 TG(14:0/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6] C53H94O6 TYUYVOHLQUKDNN-NSALPRGZSA-N +BMDB63121 826.705040747 TG(14:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6] C53H94O6 GTOYFHSNXPGLKS-HBIZVULXSA-N +BMDB63122 846.767641004 TG(14:0/18:1(9Z)/19:0)[iso6] C54H102O6 KGXWCBPHXXNMHZ-IWRJKWNLSA-N +BMDB63123 858.767641004 TG(14:0/18:1(9Z)/20:1(11Z))[iso6] C55H102O6 PKXAVJXEGNYXLJ-LESPYSKMSA-N +BMDB63124 856.75199094 TG(14:0/18:1(9Z)/20:2(11Z,14Z))[iso6] C55H100O6 HNKDMZBYGADBFP-JODICZGFSA-N +BMDB63125 854.736340876 TG(14:0/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6] C55H98O6 NUCVTMFYAFILJA-VWMHFWMRSA-N +BMDB63126 852.720690811 TG(14:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C55H96O6 ITNUXAAETYEROX-WSZXHELYSA-N +BMDB63127 880.75199094 TG(14:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C57H100O6 XSDZXQPLCUUMHQ-VOLJVZMBSA-N +BMDB63128 878.736340876 TG(14:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C57H98O6 HWQNUCDGDUFCMI-RQBJIVHESA-N +BMDB63129 826.705040747 TG(14:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C53H94O6 UVOGHPPAYFAQIT-HWJOWLPRSA-N +BMDB63130 844.75199094 TG(14:0/18:2(9Z,12Z)/19:0)[iso6] C54H100O6 PBFVSBYKDKSDLA-CDRGWSHPSA-N +BMDB63131 858.767641004 TG(14:0/18:2(9Z,12Z)/20:0)[iso6] C55H102O6 TXMWKTABZBAJCW-QLHBUVOUSA-N +BMDB63132 856.75199094 TG(14:0/18:2(9Z,12Z)/20:1(11Z))[iso6] C55H100O6 DQXQIWIQYYEGLG-MMWLGPPDSA-N +BMDB63133 854.736340876 TG(14:0/18:2(9Z,12Z)/20:2(11Z,14Z))[iso6] C55H98O6 WROLOLWFWWANQZ-OPPBVYHLSA-N +BMDB63134 852.720690811 TG(14:0/18:2(9Z,12Z)/20:3(8Z,11Z,14Z))[iso6] C55H96O6 KRVDGBILMBJWGW-DYHAXEKXSA-N +BMDB63135 886.798941133 TG(14:0/18:2(9Z,12Z)/22:0)[iso6] C57H106O6 WUUWGORPQFKFQN-XDVOZUNOSA-N +BMDB63136 878.736340876 TG(14:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C57H98O6 TXTFQSNMOAFCQE-YLQHFSMTSA-N +BMDB63137 842.736340876 TG(14:0/18:3(6Z,9Z,12Z)/19:0)[iso6] C54H98O6 MPIXKWXMBIWCTC-BTTVZRPISA-N +BMDB63138 856.75199094 TG(14:0/18:3(6Z,9Z,12Z)/20:0)[iso6] C55H100O6 XOUODEXYIDULFE-AWBUIGFBSA-N +BMDB63139 854.736340876 TG(14:0/18:3(6Z,9Z,12Z)/20:1(11Z))[iso6] C55H98O6 JFGKZRHSXFSHMF-UYCWGEELSA-N +BMDB63140 852.720690811 TG(14:0/18:3(6Z,9Z,12Z)/20:2(11Z,14Z))[iso6] C55H96O6 QQZZZCIYMICCKG-FMJDUTPESA-N +BMDB63141 870.767641004 TG(14:0/18:3(6Z,9Z,12Z)/21:0)[iso6] C56H102O6 LCNKSLJADTTXQE-SLKRYXERSA-N +BMDB63142 884.783291069 TG(14:0/18:3(6Z,9Z,12Z)/22:0)[iso6] C57H104O6 IBKTWXVFMTZJMM-OYVCJIMQSA-N +BMDB63143 842.736340876 TG(14:0/18:3(9Z,12Z,15Z)/19:0)[iso6] C54H98O6 QWAIIEGKHVQOLZ-AHWVLIIWSA-N +BMDB63144 856.75199094 TG(14:0/18:3(9Z,12Z,15Z)/20:0)[iso6] C55H100O6 VHWNCJQPNDUBCY-ZNVCVHDVSA-N +BMDB63145 854.736340876 TG(14:0/18:3(9Z,12Z,15Z)/20:1(11Z))[iso6] C55H98O6 JHMJQPFJXDWUMJ-BVQPMVRCSA-N +BMDB63146 852.720690811 TG(14:0/18:3(9Z,12Z,15Z)/20:2(11Z,14Z))[iso6] C55H96O6 WGTADRBQBBKAGF-QXZBKNQSSA-N +BMDB63147 870.767641004 TG(14:0/18:3(9Z,12Z,15Z)/21:0)[iso6] C56H102O6 WJMHAVUQVAENJS-JRHDUCERSA-N +BMDB63148 884.783291069 TG(14:0/18:3(9Z,12Z,15Z)/22:0)[iso6] C57H104O6 PZGMSWKRVOYKSW-SZZNRBPJSA-N +BMDB63149 840.720690811 TG(14:0/18:4(6Z,9Z,12Z,15Z)/19:0)[iso6] C54H96O6 GGUIMLXFMCYCLU-CUAKEYPRSA-N +BMDB63150 854.736340876 TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:0)[iso6] C55H98O6 PTAWPTKMXDLFKO-VZXSZJQLSA-N +BMDB63151 852.720690811 TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))[iso6] C55H96O6 HCFBZCCMOSAJDD-ZWMBOXBKSA-N +BMDB63152 868.75199094 TG(14:0/18:4(6Z,9Z,12Z,15Z)/21:0)[iso6] C56H100O6 ZJSNMLWXBPTYPP-JLZMKYLLSA-N +BMDB63153 882.767641004 TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:0)[iso6] C57H102O6 ADDMBQHEJRQEPO-KHTHNNQUSA-N +BMDB63154 870.767641004 TG(14:0/19:0/20:3(8Z,11Z,14Z))[iso6] C56H102O6 JOILGOBKLGUCKD-OIABVJSBSA-N +BMDB63155 868.75199094 TG(14:0/19:0/20:4(5Z,8Z,11Z,14Z))[iso6] C56H100O6 JMNRUCWECUAVCB-FSZAKRSJSA-N +BMDB63156 866.736340876 TG(14:0/19:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C56H98O6 KLVDYYKYMPXPCG-WEYNYNRMSA-N +BMDB63157 892.75199094 TG(14:0/19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C58H100O6 YVVGMRLYGMVCQC-ZGPGMLSXSA-N +BMDB63158 886.798941133 TG(14:0/20:0/20:2(11Z,14Z))[iso6] C57H106O6 OZJZLHIZXUGMED-LOBNJYFQSA-N +BMDB63159 884.783291069 TG(14:0/20:0/20:3(8Z,11Z,14Z))[iso6] C57H104O6 SENTUJWTPLLHAV-SBIMNFJZSA-N +BMDB63160 882.767641004 TG(14:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C57H102O6 XJKXBTKTOXZQFL-IDPHYFMRSA-N +BMDB63161 880.75199094 TG(14:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C57H100O6 QVTBPCIHCQQWGM-FWMKDLLLSA-N +BMDB63162 906.767641004 TG(14:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C59H102O6 JCZVOJRQXOBKKH-NSADPMFISA-N +BMDB63163 886.798941133 TG(14:0/20:1(11Z)/20:1(11Z))[iso3] C57H106O6 DQXHESFTNHULCI-UKKZZJOHSA-N +BMDB63164 884.783291069 TG(14:0/20:1(11Z)/20:2(11Z,14Z))[iso6] C57H104O6 BLFWZVXARGMXGK-LCVXGRMFSA-N +BMDB63165 882.767641004 TG(14:0/20:1(11Z)/20:3(8Z,11Z,14Z))[iso6] C57H102O6 PEGBVZIRKWFBAT-FKSNBECISA-N +BMDB63166 880.75199094 TG(14:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H100O6 YJIQPDYUKSNQSN-QXNOUVIVSA-N +BMDB63167 878.736340876 TG(14:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C57H98O6 GLOHBCHVPRPNOV-BQXIPVDISA-N +BMDB63168 906.767641004 TG(14:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C59H102O6 LTDAYXRREDMQDW-MIRLHXEKSA-N +BMDB63169 882.767641004 TG(14:0/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3] C57H102O6 NEUKLKKOFRWHDB-GLBWZRIWSA-N +BMDB63170 880.75199094 TG(14:0/20:2(11Z,14Z)/20:3(8Z,11Z,14Z))[iso6] C57H100O6 PCGADUJICVENFJ-GNQIMEJDSA-N +BMDB63171 878.736340876 TG(14:0/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H98O6 YFFIQOSQQILEOJ-IIWHEWEFSA-N +BMDB63172 906.767641004 TG(14:0/20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C59H102O6 GBRCKWHNYQTJKH-PXZIMDMNSA-N +BMDB63173 878.736340876 TG(14:0/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3] C57H98O6 QQJPBXBJVWFYAA-RPPRZKKMSA-N +BMDB63174 746.642440489 TG(14:1(9Z)/14:1(9Z)/16:0)[iso3] C47H86O6 MVWPGRQBICMGIE-SCSZFZRQSA-N +BMDB63175 774.673740618 TG(14:1(9Z)/14:1(9Z)/18:0)[iso3] C49H90O6 ULZQTMTWRYWQLC-LTZANOLVSA-N +BMDB63176 802.705040747 TG(14:1(9Z)/14:1(9Z)/20:0)[iso3] C51H94O6 MIFLTTTYYQVJLG-ZYHFKXEVSA-N +BMDB63177 800.689390682 TG(14:1(9Z)/14:1(9Z)/20:1(11Z))[iso3] C51H92O6 BPVUUWFAICALOI-AQZFARFOSA-N +BMDB63178 816.720690811 TG(14:1(9Z)/14:1(9Z)/21:0)[iso3] C52H96O6 LNPLTNXGGPIUPO-JPJOJYBFSA-N +BMDB63179 830.736340876 TG(14:1(9Z)/14:1(9Z)/22:0)[iso3] C53H98O6 KUEBBDIGWKIOKM-HIEAHZGJSA-N +BMDB63180 748.658090554 TG(14:1(9Z)/15:0/15:0)[iso3] C47H88O6 JLZYFORTRUGDQW-YVCFFHMXSA-N +BMDB63181 818.736340876 TG(14:1(9Z)/15:0/20:0)[iso6] C52H98O6 XQGOBCMATVTNTB-FBUBQAPCSA-N +BMDB63182 816.720690811 TG(14:1(9Z)/15:0/20:1(11Z))[iso6] C52H96O6 MXMODTVYMFBFLH-UKSAVOONSA-N +BMDB63183 832.75199094 TG(14:1(9Z)/15:0/21:0)[iso6] C53H100O6 JJYKEXXFKPUKOC-GBDWEMPCSA-N +BMDB63184 846.767641004 TG(14:1(9Z)/15:0/22:0)[iso6] C54H102O6 DZWUIBOQQCZJFO-WAEMFQRBSA-N +BMDB63185 838.705040747 "TG(14:1(9Z)/15:0/22:4(7Z,10Z,13Z,16Z)) [iso6]" C54H94O6 JPKNJGJLOIRIHE-LAIKAHNNSA-N +BMDB63186 774.673740618 TG(14:1(9Z)/16:0/16:1(9Z))[iso6] C49H90O6 XYYRUMPXVOZUGQ-HLWBBGRPSA-N +BMDB63187 802.705040747 TG(14:1(9Z)/16:0/18:1(9Z))[iso6] C51H94O6 IDORTGNLWFUSFB-BEZIXVOXSA-N +BMDB63188 800.689390682 TG(14:1(9Z)/16:0/18:2(9Z,12Z))[iso6] C51H92O6 FHGXTKAXCVLEFT-MIELHLGDSA-N +BMDB63189 818.736340876 TG(14:1(9Z)/16:0/19:0)[iso6] C52H98O6 KLYQJSMEYVGMRD-FBUBQAPCSA-N +BMDB63190 832.75199094 TG(14:1(9Z)/16:0/20:0)[iso6] C53H100O6 AJWXNNCJHGLYAD-GBDWEMPCSA-N +BMDB63191 830.736340876 TG(14:1(9Z)/16:0/20:1(11Z))[iso6] C53H98O6 AXGBRPSHYYTFMZ-YZLGPNATSA-N +BMDB63192 828.720690811 TG(14:1(9Z)/16:0/20:2(11Z,14Z))[iso6] C53H96O6 FKRJLNNLXUZMAE-AWNZXJQSSA-N +BMDB63193 826.705040747 TG(14:1(9Z)/16:0/20:3(8Z,11Z,14Z))[iso6] C53H94O6 QNSGESMEDNONDQ-YEIQNNBGSA-N +BMDB63194 846.767641004 TG(14:1(9Z)/16:0/21:0)[iso6] C54H102O6 XIRVPEQVOKTJKV-WAEMFQRBSA-N +BMDB63195 852.720690811 TG(14:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z))[iso6] C55H96O6 DJBSAGJERMKCDN-KXXMQWMHSA-N +BMDB63196 802.705040747 TG(14:1(9Z)/16:1(9Z)/18:0)[iso6] C51H94O6 NTJGBLKOLWZBGK-XNBLBITASA-N +BMDB63197 800.689390676 TG(14:1(9Z)/16:1(9Z)/18:1(9Z))[iso6] C51H92O6 ZIGMEVARAPDBLA-ZOFBRCOOSA-N +BMDB63198 816.720690811 TG(14:1(9Z)/16:1(9Z)/19:0)[iso6] C52H96O6 ROOMUDAYHJYWIB-ONIRNZKQSA-N +BMDB63199 830.736340876 TG(14:1(9Z)/16:1(9Z)/20:0)[iso6] C53H98O6 HAHVPPVRPWNLPZ-KBPAKABXSA-N +BMDB63200 828.720690811 TG(14:1(9Z)/16:1(9Z)/20:1(11Z))[iso6] C53H96O6 YJHJUCJUUFLJKP-BREDDCKZSA-N +BMDB63201 826.705040747 TG(14:1(9Z)/16:1(9Z)/20:2(11Z,14Z))[iso6] C53H94O6 BVEHBZABGSQPIA-SALQHMLOSA-N +BMDB63202 844.75199094 TG(14:1(9Z)/16:1(9Z)/21:0)[iso6] C54H100O6 BDILEAGHQOKCJP-SVLPHVQZSA-N +BMDB63203 858.767640996 TG(14:1(9Z)/16:1(9Z)/22:0)[iso6] C55H102O6 KCBONYLTGYLSPQ-ZHYIDQMMSA-N +BMDB63204 818.736340876 TG(14:1(9Z)/17:0/18:0)[iso6] C52H98O6 VQFDARFASMNDPO-FBUBQAPCSA-N +BMDB63205 816.720690811 TG(14:1(9Z)/17:0/18:1(9Z))[iso6] C52H96O6 HNZHNRBGKOGSAN-DZHKDINRSA-N +BMDB63206 832.75199094 TG(14:1(9Z)/17:0/19:0)[iso6] C53H100O6 APHPZTPJTCOKDQ-GBDWEMPCSA-N +BMDB63207 846.767641004 TG(14:1(9Z)/17:0/20:0)[iso6] C54H102O6 SCKSTQYDKBQNEH-WAEMFQRBSA-N +BMDB63208 844.75199094 TG(14:1(9Z)/17:0/20:1(11Z))[iso6] C54H100O6 QRHYOFNHJQTTSH-FDQAFRHVSA-N +BMDB63209 842.736340876 TG(14:1(9Z)/17:0/20:2(11Z,14Z))[iso6] C54H98O6 UDGLXVGUNBGHQK-PVOISTOZSA-N +BMDB63210 840.720690811 TG(14:1(9Z)/17:0/20:3(8Z,11Z,14Z))[iso6] C54H96O6 PDUURVFFFQOEDI-IWKFIRQESA-N +BMDB63211 838.705040747 "TG(14:1(9Z)/17:0/20:4(5Z,8Z,11Z,14Z)) [iso6]" C54H94O6 AXGLIVAXBTUIEL-YOOFFHLWSA-N +BMDB63212 866.736340876 TG(14:1(9Z)/17:0/22:4(7Z,10Z,13Z,16Z))[iso6] C56H98O6 UULXTJKQOCFMPP-JGGPMCPVSA-N +BMDB63213 864.720690811 TG(14:1(9Z)/17:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C56H96O6 UZMFTVFOAGQKNA-KBRNEGTESA-N +BMDB63214 832.75199094 TG(14:1(9Z)/18:0/18:0)[iso3] C53H100O6 BUBDIXSZFBSPDV-GBDWEMPCSA-N +BMDB63215 830.736340876 TG(14:1(9Z)/18:0/18:1(9Z))[iso6] C53H98O6 BWIZOVWGSXRELH-LRIYWTGSSA-N +BMDB63216 828.720690811 TG(14:1(9Z)/18:0/18:2(9Z,12Z))[iso6] C53H96O6 YZIMSURFZCBEPK-ZKKQPWQBSA-N +BMDB63217 826.705040747 TG(14:1(9Z)/18:0/18:3(6Z,9Z,12Z))[iso6] C53H94O6 JJJFPSASDJDBAA-GAKSGLJASA-N +BMDB63218 826.705040747 TG(14:1(9Z)/18:0/18:3(9Z,12Z,15Z))[iso6] C53H94O6 AHFFBXZSVOKSCA-FAFQATKSSA-N +BMDB63219 846.767641004 TG(14:1(9Z)/18:0/19:0)[iso6] C54H102O6 HVZCGYSSADENBO-WAEMFQRBSA-N +BMDB63220 858.767641004 TG(14:1(9Z)/18:0/20:1(11Z))[iso6] C55H102O6 SJZMAXZPHJKFLA-CSOMECLSSA-N +BMDB63221 856.75199094 TG(14:1(9Z)/18:0/20:2(11Z,14Z))[iso6] C55H100O6 FSTDLLFKLQLNCY-INLODCDNSA-N +BMDB63222 854.736340876 TG(14:1(9Z)/18:0/20:3(8Z,11Z,14Z))[iso6] C55H98O6 FRRFYNPAOJOMTG-UDDBTJMSSA-N +BMDB63223 852.720690811 TG(14:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] C55H96O6 LMDMXKYAEKPMRJ-HMTDPXOMSA-N +BMDB63224 880.75199094 TG(14:1(9Z)/18:0/22:4(7Z,10Z,13Z,16Z))[iso6] C57H100O6 FAEIJJBFHNTKST-UOWISKSOSA-N +BMDB63225 878.736340876 TG(14:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C57H98O6 XEMKEHAWVGNINA-YBYRLAKVSA-N +BMDB63226 828.720690811 TG(14:1(9Z)/18:1(9Z)/18:1(9Z))[iso3] C53H96O6 LSIWIEMBUWTAAQ-LGIGGLQBSA-N +BMDB63227 826.705040747 TG(14:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6] C53H94O6 OXTWVCYSQAJXLY-UYVNSICISA-N +BMDB63228 844.75199094 TG(14:1(9Z)/18:1(9Z)/19:0)[iso6] C54H100O6 ZIELCAYILYZIOC-KHBXOQJOSA-N +BMDB63229 858.767641004 TG(14:1(9Z)/18:1(9Z)/20:0)[iso6] C55H102O6 QGSLOGGZIMGOJQ-KOTIVLSZSA-N +BMDB63230 856.75199094 TG(14:1(9Z)/18:1(9Z)/20:1(11Z))[iso6] C55H100O6 RYWWBXHDEGSCOG-MFCAIVPXSA-N +BMDB63231 854.736340876 TG(14:1(9Z)/18:1(9Z)/20:2(11Z,14Z))[iso6] C55H98O6 YWEWSQJHNNUANW-CNJXFFONSA-N +BMDB63232 852.720690811 TG(14:1(9Z)/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6] C55H96O6 CGPMDMDZQFZLHH-ANKMCOSDSA-N +BMDB63233 886.798941133 TG(14:1(9Z)/18:1(9Z)/22:0)[iso6] C57H106O6 XQGOXUBPPLKVPV-FLHZLDQWSA-N +BMDB63234 878.736340876 TG(14:1(9Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C57H98O6 PSXVDMHVIJTXKU-CATITTJPSA-N +BMDB63235 842.736340876 TG(14:1(9Z)/18:2(9Z,12Z)/19:0)[iso6] C54H98O6 PMWHTYYQOBMMGG-VIBZLMJOSA-N +BMDB63236 856.75199094 TG(14:1(9Z)/18:2(9Z,12Z)/20:0)[iso6] C55H100O6 SESIDPZYQNXGDB-MMLIVBKMSA-N +BMDB63237 854.736340876 TG(14:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6] C55H98O6 RXDPGFFVSMSLTG-WOVOSWEDSA-N +BMDB63238 852.720690811 TG(14:1(9Z)/18:2(9Z,12Z)/20:2(11Z,14Z))[iso6] C55H96O6 FHMSYFQZXWGGAR-OQULKOOXSA-N +BMDB63239 870.767641004 TG(14:1(9Z)/18:2(9Z,12Z)/21:0)[iso6] C56H102O6 MFKVUWLZFLRRSL-XLPOXEFRSA-N +BMDB63240 884.783291069 TG(14:1(9Z)/18:2(9Z,12Z)/22:0)[iso6] C57H104O6 FYOAFNBAIZJVFT-NTJLCKQPSA-N +BMDB63241 840.720690811 TG(14:1(9Z)/18:3(6Z,9Z,12Z)/19:0)[iso6] C54H96O6 FXJDGSNNOJGERK-HFVPBBBCSA-N +BMDB63242 854.736340876 TG(14:1(9Z)/18:3(6Z,9Z,12Z)/20:0)[iso6] C55H98O6 MGSBTOPMZSCVHO-BZELGPTESA-N +BMDB63243 852.720690811 TG(14:1(9Z)/18:3(6Z,9Z,12Z)/20:1(11Z))[iso6] C55H96O6 PHSOZYZQNQNQAK-AKERPWBHSA-N +BMDB63244 868.75199094 TG(14:1(9Z)/18:3(6Z,9Z,12Z)/21:0)[iso6] C56H100O6 HJALBBWEPPAQQG-OSTKVNFSSA-N +BMDB63245 882.767641004 TG(14:1(9Z)/18:3(6Z,9Z,12Z)/22:0)[iso6] C57H102O6 OOXHPYMTHPKODA-FGMJLWFOSA-N +BMDB63246 840.720690811 TG(14:1(9Z)/18:3(9Z,12Z,15Z)/19:0)[iso6] C54H96O6 SJQMHIAHRCGOFO-WFBMQPNDSA-N +BMDB63247 854.736340876 TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:0)[iso6] C55H98O6 WZFPPHDQBDNLNK-UHDSONINSA-N +BMDB63248 852.720690811 TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:1(11Z))[iso6] C55H96O6 DSZMYGQJZQQSEL-LTASUQRYSA-N +BMDB63249 868.75199094 TG(14:1(9Z)/18:3(9Z,12Z,15Z)/21:0)[iso6] C56H100O6 YCBCZIKALKDHRL-RNRXTGNKSA-N +BMDB63250 882.767641004 TG(14:1(9Z)/18:3(9Z,12Z,15Z)/22:0)[iso6] C57H102O6 QEYIHHBEALJAPR-ROXUKPIWSA-N +BMDB63251 838.705040747 "TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/19:0) [iso6]" C54H94O6 OJQOQQTYZNUQEO-VLTOWSMBSA-N +BMDB63252 852.720690811 TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:0)[iso6] C55H96O6 AYBNKZOBZIRMHJ-WCCWLRMCSA-N +BMDB63253 866.736340876 TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/21:0)[iso6] C56H98O6 OPTAVPDYKMZZIU-YAMQLDASSA-N +BMDB63254 880.75199094 TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:0)[iso6] C57H100O6 IHSDKTOLZNRUIJ-PCXGZXBVSA-N +BMDB63255 870.767641004 TG(14:1(9Z)/19:0/20:2(11Z,14Z))[iso6] C56H102O6 DWRFRVMLGKZEFL-GTWSWVPXSA-N +BMDB63256 868.75199094 TG(14:1(9Z)/19:0/20:3(8Z,11Z,14Z))[iso6] C56H100O6 AGGMHSIJPOCJNC-MASVKUGQSA-N +BMDB63257 866.736340876 TG(14:1(9Z)/19:0/20:4(5Z,8Z,11Z,14Z))[iso6] C56H98O6 UIRMRFWTYIILMR-KRGWTCCISA-N +BMDB63258 864.720690811 TG(14:1(9Z)/19:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C56H96O6 BNZDKHVWOHULBW-LNYCIMOMSA-N +BMDB63259 892.75199094 TG(14:1(9Z)/19:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C58H100O6 PEFALGWSGDTGFP-LEGBOPRUSA-N +BMDB63260 890.736340876 TG(14:1(9Z)/19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C58H98O6 HPIZLBYYGOCKAC-BPRBUCARSA-N +BMDB63261 886.798941133 TG(14:1(9Z)/20:0/20:1(11Z))[iso6] C57H106O6 SSHQULTWICGVDD-VADMYHFGSA-N +BMDB63262 884.783291069 TG(14:1(9Z)/20:0/20:2(11Z,14Z))[iso6] C57H104O6 NUYRINJQOPQTKC-VZKMDISCSA-N +BMDB63263 882.767641004 TG(14:1(9Z)/20:0/20:3(8Z,11Z,14Z))[iso6] C57H102O6 AUEYCFPJLUPBLD-BJTIWZRUSA-N +BMDB63264 880.75199094 TG(14:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C57H100O6 FCJIOGHLJHBKRR-RRSYUMOYSA-N +BMDB63265 878.736340876 TG(14:1(9Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C57H98O6 MRADHNGGQNMBIT-QZSXXDLCSA-N +BMDB63266 906.767641004 TG(14:1(9Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C59H102O6 HHOXMNWYACDQOZ-KSVLYWAXSA-N +BMDB63267 884.783291069 TG(14:1(9Z)/20:1(11Z)/20:1(11Z))[iso3] C57H104O6 OPZBOXKFTDVAOR-LIFHANCPSA-N +BMDB63268 882.767641004 TG(14:1(9Z)/20:1(11Z)/20:2(11Z,14Z))[iso6] C57H102O6 BGODCVGWEBYLGN-IQKRTTMSSA-N +BMDB63269 880.75199094 TG(14:1(9Z)/20:1(11Z)/20:3(8Z,11Z,14Z))[iso6] C57H100O6 BCMHHAAVHIRHKO-UMNWWONZSA-N +BMDB63270 878.736340876 TG(14:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H98O6 FWEYWBCVKNAPDM-CWNCTSIJSA-N +BMDB63271 906.767641004 TG(14:1(9Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C59H102O6 OVLIJZSOJQWFEB-YGXKXHDLSA-N +BMDB63272 880.75199094 TG(14:1(9Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3] C57H100O6 GGESIZJOLUZGHM-FRWMMZKASA-N +BMDB63273 878.736340876 TG(14:1(9Z)/20:2(11Z,14Z)/20:3(8Z,11Z,14Z))[iso6] C57H98O6 GTWVWZVUHRQRBY-NKVDYPCKSA-N +BMDB63274 892.75199094 TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/21:0)[iso6] C58H100O6 TXGHWDWVTGGXMQ-FVAAAGHZSA-N +BMDB63275 906.767641004 TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)[iso6] C59H102O6 WYXOGHYUVBJXHY-MMPZXVEESA-N +BMDB63276 802.705040747 TG(15:0/15:0/18:2(9Z,12Z))[iso3] C51H94O6 QMWRBKDPURNASG-CUKHCRPOSA-N +BMDB63277 800.689390682 TG(15:0/15:0/18:3(6Z,9Z,12Z))[iso3] C51H92O6 METHLKWLLGWOAR-RDSZMISUSA-N +BMDB63278 800.689390682 TG(15:0/15:0/18:3(9Z,12Z,15Z))[iso3] C51H92O6 IMUJVKCHSCPLJO-BTTTWFIISA-N +BMDB63279 832.75199094 TG(15:0/15:0/20:1(11Z))[iso3] C53H100O6 CTTGQUYMPWGUTF-YYSBDVFPSA-N +BMDB63280 830.736340876 TG(15:0/15:0/20:2(11Z,14Z))[iso3] C53H98O6 OEGSGUSCNRLRFO-IICCMCGVSA-N +BMDB63281 828.720690811 TG(15:0/15:0/20:3(8Z,11Z,14Z))[iso3] C53H96O6 USKOQXWFTGKIJK-RAYTXGKKSA-N +BMDB63282 826.705040747 TG(15:0/15:0/20:4(5Z,8Z,11Z,14Z))[iso3] C53H94O6 GOBILVAUGMTLQK-OXUNUDIPSA-N +BMDB63283 854.736340876 TG(15:0/15:0/22:4(7Z,10Z,13Z,16Z))[iso3] C55H98O6 OHCSUIXLCHKFFY-NQDHGGPDSA-N +BMDB63284 852.720690811 TG(15:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] C55H96O6 CKJFKCABBRYLMR-UJAGEWJNSA-N +BMDB63285 818.736340876 TG(15:0/16:0/18:1(9Z))[iso6] C52H98O6 IVRUJYRTYXTTIH-WURLXDQTSA-N +BMDB63286 816.720690811 TG(15:0/16:0/18:2(9Z,12Z))[iso6] C52H96O6 DDWAXVHDVUVXSQ-XASORYIHSA-N +BMDB63287 846.767641004 TG(15:0/16:0/20:1(11Z))[iso6] C54H102O6 SUYGGHGLHBZSPT-BPHZLQOLSA-N +BMDB63288 838.705040747 "TG(15:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z)) [iso6]" C54H94O6 AMXXNFGRYHWAIZ-YSWGSRGVSA-N +BMDB63289 868.75199094 TG(15:0/16:0/22:4(7Z,10Z,13Z,16Z))[iso6] C56H100O6 AHARKWTZAVEXCY-QAHZJOAVSA-N +BMDB63290 866.736340876 TG(15:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C56H98O6 QBWWHOKPBJFJMT-HBTQITAKSA-N +BMDB63291 864.720690811 TG(15:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C56H96O6 LDWHFXYROBXTCC-XCXLAPNFSA-N +BMDB63292 818.736340876 TG(15:0/16:1(9Z)/18:0)[iso6] C52H98O6 IPTNYCRHJMJCQE-KMTXBVSESA-N +BMDB63293 816.720690811 TG(15:0/16:1(9Z)/18:1(9Z))[iso6] C52H96O6 ZSHVDBVWHRXKEV-KEJUFOLESA-N +BMDB63294 832.75199094 TG(15:0/16:1(9Z)/19:0)[iso6] C53H100O6 LWRQEQMKDSSHAL-DKKVYINCSA-N +BMDB63295 846.767641004 TG(15:0/16:1(9Z)/20:0)[iso6] C54H102O6 VCVDKBBECJTNHK-FECCDXIYSA-N +BMDB63296 844.75199094 TG(15:0/16:1(9Z)/20:1(11Z))[iso6] C54H100O6 XJHCUGZLVVQPLJ-ZULIWAOTSA-N +BMDB63297 842.736340876 TG(15:0/16:1(9Z)/20:2(11Z,14Z))[iso6] C54H98O6 NAFMESDUMVNTKX-ABXSMWFCSA-N +BMDB63298 840.720690811 TG(15:0/16:1(9Z)/20:3(8Z,11Z,14Z))[iso6] C54H96O6 ZBLICBPFGHXTDO-SAMZCZMDSA-N +BMDB63299 838.705040747 "TG(15:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) [iso6]" C54H94O6 HVWSSTSBNGXYBJ-NEUYFDHMSA-N +BMDB63300 866.736340876 TG(15:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C56H98O6 PZJGYRZVYVHCDI-QRDZVSGTSA-N +BMDB63301 864.720690811 TG(15:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C56H96O6 LQWIUBUSZHRBMR-PUHDPVPQSA-N +BMDB63302 832.75199094 TG(15:0/17:0/18:1(9Z))[iso6] C53H100O6 DRKYQWMKUPUUSK-RXQRVFRESA-N +BMDB63303 830.736340876 TG(15:0/17:0/18:2(9Z,12Z))[iso6] C53H98O6 LXTHWHPSRIYNDA-OOYOYISSSA-N +BMDB63304 828.720690811 TG(15:0/17:0/18:3(6Z,9Z,12Z))[iso6] C53H96O6 NSCSMJBBZBCZPA-ONYZMOOJSA-N +BMDB63305 828.720690811 TG(15:0/17:0/18:3(9Z,12Z,15Z))[iso6] C53H96O6 BVNVQKCUSUQOBS-GCLHFNBGSA-N +BMDB63306 826.705040747 TG(15:0/17:0/18:4(6Z,9Z,12Z,15Z))[iso6] C53H94O6 ODQQQBWNNQQHDC-VFDWZYNKSA-N +BMDB63307 858.767641004 TG(15:0/17:0/20:2(11Z,14Z))[iso6] C55H102O6 HLKXUQWBLARRKN-AXYZMXSISA-N +BMDB63308 856.75199094 TG(15:0/17:0/20:3(8Z,11Z,14Z))[iso6] C55H100O6 YVOALKUYMOCTRZ-PALQDYBESA-N +BMDB63309 854.736340876 TG(15:0/17:0/20:4(5Z,8Z,11Z,14Z))[iso6] C55H98O6 BRONEPJOIBPQAU-QQLQNIADSA-N +BMDB63310 852.720690811 TG(15:0/17:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C55H96O6 GXKIOFVYMGPCNW-IOKBHKOWSA-N +BMDB63311 882.767641004 TG(15:0/17:0/22:4(7Z,10Z,13Z,16Z))[iso6] C57H102O6 WIYNEVGMEDLXJC-NWOIPSGQSA-N +BMDB63312 880.75199094 TG(15:0/17:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C57H100O6 QGPKJIDZWXVWHS-QKIMVFCSSA-N +BMDB63313 878.736340876 TG(15:0/17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C57H98O6 AGRWQVDHBRTOBQ-FKOMLZBPSA-N +BMDB63314 846.767641004 TG(15:0/18:0/18:1(9Z))[iso6] C54H102O6 NTCKBJDZYIUTCZ-IWRJKWNLSA-N +BMDB63315 842.736340876 TG(15:0/18:0/18:3(6Z,9Z,12Z))[iso6] C54H98O6 OGNCECWXMXWFGY-HUKRJYENSA-N +BMDB63316 840.720690811 TG(15:0/18:0/18:4(6Z,9Z,12Z,15Z))[iso6] C54H96O6 IVTXWAOVGPUCRC-GJEOUJQTSA-N +BMDB63317 870.767641004 TG(15:0/18:0/20:3(8Z,11Z,14Z))[iso6] C56H102O6 ALQRRLJPYXJUQJ-RSTIMVJUSA-N +BMDB63318 868.75199094 TG(15:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] C56H100O6 YNBYDMOKHWTIOZ-AMXMSOOLSA-N +BMDB63319 866.736340876 TG(15:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C56H98O6 ZXBWNEVRFREORM-PISIRZHQSA-N +BMDB63320 892.75199094 TG(15:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C58H100O6 XLKRJIDQNKJANA-BCQSDSNRSA-N +BMDB63321 840.720690811 TG(15:0/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6] C54H96O6 IJTQTIQOHKQXGY-VVYUWGEOSA-N +BMDB63322 838.705040747 "TG(15:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) [iso6]" C54H94O6 ZTMUXDIXBIPXGU-PZVZAQIJSA-N +BMDB63323 870.767641004 TG(15:0/18:1(9Z)/20:2(11Z,14Z))[iso6] C56H102O6 ANIZQXYZMABPHZ-KYTYZABYSA-N +BMDB63324 868.75199094 TG(15:0/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6] C56H100O6 AVNIVQNKHXFYSN-URCKJTPXSA-N +BMDB63325 866.736340876 TG(15:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C56H98O6 HEBGSKDYZDHLCX-VVBUWLPMSA-N +BMDB63326 864.720690811 TG(15:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C56H96O6 OCLMKYADRKWPHX-AECXCSJASA-N +BMDB63327 892.75199094 TG(15:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C58H100O6 GQEDWGPIIPNXKK-CDISXQGSSA-N +BMDB63328 890.736340876 TG(15:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C58H98O6 NJBABWLQKGRDHS-PXLGKYGTSA-N +BMDB63329 838.705040747 "TG(15:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) [iso6]" C54H94O6 KPOZERFMPPBKLU-MXUWZVGSSA-N +BMDB63330 838.705040747 "TG(15:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) [iso6]" C54H94O6 VEGWTLAYXMHOLL-HGHNBNCWSA-N +BMDB63331 858.767641004 TG(15:0/18:2(9Z,12Z)/19:0)[iso6] C55H102O6 FWKDGRXQEDHKNC-MXIZALJSSA-N +BMDB63332 870.767641004 TG(15:0/18:2(9Z,12Z)/20:1(11Z))[iso6] C56H102O6 RHODOWWOHRDFEP-AJWXWBAVSA-N +BMDB63333 868.75199094 TG(15:0/18:2(9Z,12Z)/20:2(11Z,14Z))[iso6] C56H100O6 BLQBYZAEDJFOQJ-XEHHIRGYSA-N +BMDB63334 866.736340876 TG(15:0/18:2(9Z,12Z)/20:3(8Z,11Z,14Z))[iso6] C56H98O6 CKBVNPDRXAQXPC-AHPJETTOSA-N +BMDB63335 864.720690811 TG(15:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C56H96O6 XVHLGBHSAWAQOP-VCFUQMKTSA-N +BMDB63336 886.798941133 TG(15:0/18:2(9Z,12Z)/21:0)[iso6] C57H106O6 PZCDMYGPUPHCML-HLPKYJTRSA-N +BMDB63337 892.75199094 TG(15:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C58H100O6 RLUPWQZSNHDVDN-PGZMEBPCSA-N +BMDB63338 890.736340876 TG(15:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C58H98O6 DBLWBMOGRRODGG-GCKQKNAVSA-N +BMDB63339 888.720690811 TG(15:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C58H96O6 CCWZMJPDSMVFGX-QEOYEMERSA-N +BMDB63340 856.75199094 TG(15:0/18:3(6Z,9Z,12Z)/19:0)[iso6] C55H100O6 HUJICKOFNHWLNH-SDNOKDSYSA-N +BMDB63341 870.767641004 TG(15:0/18:3(6Z,9Z,12Z)/20:0)[iso6] C56H102O6 SFXPGNOTVPCLGV-YQACDRHUSA-N +BMDB63342 868.75199094 TG(15:0/18:3(6Z,9Z,12Z)/20:1(11Z))[iso6] C56H100O6 NVPVWAAYLOXLNU-RILZXJDUSA-N +BMDB63343 866.736340876 TG(15:0/18:3(6Z,9Z,12Z)/20:2(11Z,14Z))[iso6] C56H98O6 QHZCBHXUZKDICC-JZRNRQSTSA-N +BMDB63344 864.720690811 TG(15:0/18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))[iso6] C56H96O6 FZRSKGVAJUEIMB-ZNMYJKAFSA-N +BMDB63345 884.783291069 TG(15:0/18:3(6Z,9Z,12Z)/21:0)[iso6] C57H104O6 KWVJBVNSQMDXOA-WHXRBJOXSA-N +BMDB63346 890.736340876 TG(15:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C58H98O6 LBVQZZXEQAQWJE-FCTCNIKJSA-N +BMDB63347 888.720690811 TG(15:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C58H96O6 WBENTTBFGOYZBK-BQMFVZMCSA-N +BMDB63348 886.705040747 TG(15:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C58H94O6 SNFNQOYAAAMVDM-ZVJXPZCRSA-N +BMDB63349 856.75199094 TG(15:0/18:3(9Z,12Z,15Z)/19:0)[iso6] C55H100O6 NZUFUYUQOXNGHK-XKCLUBGVSA-N +BMDB63350 870.767641004 TG(15:0/18:3(9Z,12Z,15Z)/20:0)[iso6] C56H102O6 AWTWWJICEHSIQB-APGUVPFOSA-N +BMDB63351 868.75199094 TG(15:0/18:3(9Z,12Z,15Z)/20:1(11Z))[iso6] C56H100O6 SSECMEVMCYXEDX-UGFDWAJZSA-N +BMDB63352 866.736340876 TG(15:0/18:3(9Z,12Z,15Z)/20:2(11Z,14Z))[iso6] C56H98O6 SXJDBDBUWNMJQG-XEZWFYPASA-N +BMDB63353 864.720690811 TG(15:0/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))[iso6] C56H96O6 SXYZPDVKPZSYBB-GSDDELAMSA-N +BMDB63354 884.783291069 TG(15:0/18:3(9Z,12Z,15Z)/21:0)[iso6] C57H104O6 HKYKVKLJKOMEFB-VCZQZVNISA-N +BMDB63355 890.736340876 TG(15:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C58H98O6 RXWNEDBINLPSKT-DTPXRKDSSA-N +BMDB63356 888.720690811 TG(15:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C58H96O6 XSNULRLGLPOPAW-RLUXLQEASA-N +BMDB63357 886.705040747 TG(15:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C58H94O6 ZSHNGOFHXDJETR-OCJVAEQXSA-N +BMDB63358 854.736340876 TG(15:0/18:4(6Z,9Z,12Z,15Z)/19:0)[iso6] C55H98O6 SCNIQPJMPXCRBL-SJOAMKAZSA-N +BMDB63359 868.75199094 TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:0)[iso6] C56H100O6 XHGPJDAXTQRYRX-IFYWJLRBSA-N +BMDB63360 866.736340876 TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))[iso6] C56H98O6 ILVHTHLVGOKSIS-BIHBSHSGSA-N +BMDB63361 864.720690811 TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))[iso6] C56H96O6 WOGKPIGFDQNJSC-VWQGHMRWSA-N +BMDB63362 882.767641004 TG(15:0/18:4(6Z,9Z,12Z,15Z)/21:0)[iso6] C57H102O6 LNPZFXQJIKGHQU-GHNRJVLESA-N +BMDB63363 888.720690811 TG(15:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C58H96O6 QCBQGJYOLYSRFB-MBIARFDPSA-N +BMDB63364 886.705040747 TG(15:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C58H94O6 UQPZYNPQGAQLOZ-STHTUCCFSA-N +BMDB63365 886.798941133 TG(15:0/19:0/20:2(11Z,14Z))[iso6] C57H106O6 DIEUHKAOXWVENP-SPSCBPQESA-N +BMDB63366 884.783291069 TG(15:0/19:0/20:3(8Z,11Z,14Z))[iso6] C57H104O6 HFLBNRZGYPBDNR-YRQBPDLFSA-N +BMDB63367 882.767641004 TG(15:0/19:0/20:4(5Z,8Z,11Z,14Z))[iso6] C57H102O6 RFIMOUDBNYZGQQ-YMCONJMYSA-N +BMDB63368 880.75199094 TG(15:0/19:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C57H100O6 IAIXCANGXJKPPC-ZNJNHKNHSA-N +BMDB63369 906.767641004 TG(15:0/19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C59H102O6 AOHKDMQJILOQIT-DNORJDIWSA-N +BMDB63370 892.75199094 TG(15:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C58H100O6 YYJJTSKFEAOXSI-JCWDJJCISA-N +BMDB63371 892.75199094 TG(15:0/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C58H100O6 YRIVSXDJQGUUPE-YKUPGGRVSA-N +BMDB63372 890.736340876 TG(15:0/20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C58H98O6 NOZRDRCGJNYJAG-FZOHNITLSA-N +BMDB63373 892.75199094 TG(15:0/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3] C58H100O6 VNKFJQDGOLFDBJ-AVDNXWPCSA-N +BMDB63374 890.736340876 TG(15:0/20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C58H98O6 FNKJYZHOCLKKOQ-SVAQYVQNSA-N +BMDB63375 888.720690811 TG(15:0/20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C58H96O6 ZYYQFIVTVYQHRI-NBRMABAVSA-N +BMDB63376 888.720690811 TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C58H96O6 WGBLYIVQHHBSJP-FVZMLJHESA-N +BMDB63377 886.705040747 TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C58H94O6 MZMDWTSJLXIFQW-KCQCUMLUSA-N +BMDB63378 832.75199094 TG(16:0/16:0/18:1(11E)) C53H100O6 ZKEWGTVAIGJNBK-WTHOFYOTSA-N +BMDB63379 832.751990932 TG(16:0/16:0/18:1(9Z)) C53H100O6 YHMDGPZOSGBQRH-YYSBDVFPSA-N +BMDB63380 828.720690811 TG(16:0/16:0/18:3(6Z,9Z,12Z))[iso3] C53H96O6 SDAWBYTVEHZEOC-UYELOTJWSA-N +BMDB63381 826.705040747 TG(16:0/16:0/18:4(6Z,9Z,12Z,15Z))[iso3] C53H94O6 BKTGCNHANLSVFZ-SSWDCBAISA-N +BMDB63382 858.767641004 TG(16:0/16:0/20:2(11Z,14Z))[iso3] C55H102O6 LYMKCBJXTOVQAA-WGAYFDSDSA-N +BMDB63383 856.75199094 TG(16:0/16:0/20:3(8Z,11Z,14Z))[iso3] C55H100O6 QREQPUUUIPJTAA-HYCWKOKOSA-N +BMDB63384 852.720690811 TG(16:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso3] C55H96O6 MKRZSXAKFYWUAW-QMMDPMFKSA-N +BMDB63385 882.767641004 TG(16:0/16:0/22:4(7Z,10Z,13Z,16Z))[iso3] C57H102O6 MZUGAQXXWDXZIR-CXRAQCBMSA-N +BMDB63386 880.75199094 TG(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] C57H100O6 JKYPCWURBUPJMX-QWJGYMLASA-N +BMDB63387 818.736340876 TG(16:0/16:1(9Z)/17:0)[iso6] C52H98O6 YIGDTOYHCVNXSG-WIUOTLMHSA-N +BMDB63388 826.705040747 TG(16:0/16:1(9Z)/18:3(6Z,9Z,12Z))[iso6] C53H94O6 SWRIYMPOMOLLBH-GCNOXSMISA-N +BMDB63389 826.705040747 TG(16:0/16:1(9Z)/18:3(9Z,12Z,15Z))[iso6] C53H94O6 RHUJINIOQZVHBP-OANVKHJTSA-N +BMDB63390 846.767641004 TG(16:0/16:1(9Z)/19:0)[iso6] C54H102O6 FSMDNWIRUAZATF-PLQIPONWSA-N +BMDB63391 856.75199094 TG(16:0/16:1(9Z)/20:2(11Z,14Z))[iso6] C55H100O6 QDDBVRCUCSETRT-HKGVRYHUSA-N +BMDB63392 854.736340876 TG(16:0/16:1(9Z)/20:3(8Z,11Z,14Z))[iso6] C55H98O6 SUSIMFZQHRKHPM-MSEPBEHBSA-N +BMDB63393 886.798941133 TG(16:0/16:1(9Z)/22:1(13Z))[iso6] C57H106O6 FNTIMIABTDJKKH-AYBAZDROSA-N +BMDB63394 880.75199094 TG(16:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C57H100O6 JULWPANCJCTRDN-XDVJHDGOSA-N +BMDB63395 878.736340876 TG(16:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C57H98O6 VKAYDSJZVUXKJK-FMDDEYBESA-N +BMDB63396 846.767641004 TG(16:0/17:0/18:1(9Z))[iso6] C54H102O6 RHDRMOUSDQDVCE-IWRJKWNLSA-N +BMDB63397 844.75199094 TG(16:0/17:0/18:2(9Z,12Z))[iso6] C54H100O6 YQTVDFFNLVLBEJ-TXWVTNJISA-N +BMDB63398 842.736340876 TG(16:0/17:0/18:3(6Z,9Z,12Z))[iso6] C54H98O6 ZVSBVHDDAXBCMJ-HUKRJYENSA-N +BMDB63399 842.736340876 TG(16:0/17:0/18:3(9Z,12Z,15Z))[iso6] C54H98O6 STMGIZUULVJEFT-ZCTUBHHNSA-N +BMDB63400 840.720690811 TG(16:0/17:0/18:4(6Z,9Z,12Z,15Z))[iso6] C54H96O6 LBKSXTMDJCVOMT-GJEOUJQTSA-N +BMDB63401 870.767641004 TG(16:0/17:0/20:3(8Z,11Z,14Z))[iso6] C56H102O6 RRXRQXCJWQRGHZ-CBUIXCTPSA-N +BMDB63402 868.75199094 TG(16:0/17:0/20:4(5Z,8Z,11Z,14Z))[iso6] C56H100O6 WQFNYIJLJYJWKK-RKCSJCDQSA-N +BMDB63403 866.736340876 TG(16:0/17:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C56H98O6 LDZJXIQSQMRKGI-NMNASCPOSA-N +BMDB63404 892.75199094 TG(16:0/17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C58H100O6 AFOLAZWOEZYEBM-PNXBFWNTSA-N +BMDB63405 856.75199094 TG(16:0/18:0/18:3(6Z,9Z,12Z))[iso6] C55H100O6 SHZPWJWHCSZOEX-LNQXMCLDSA-N +BMDB63406 856.75199094 TG(16:0/18:0/18:3(9Z,12Z,15Z))[iso6] C55H100O6 QRLNWUKVSNTXQG-KORYJFEASA-N +BMDB63407 854.736340876 TG(16:0/18:0/18:4(6Z,9Z,12Z,15Z))[iso6] C55H98O6 DKOLNIRGGQSZQS-WWVQZGQBSA-N +BMDB63408 886.798941133 TG(16:0/18:0/20:2(11Z,14Z))[iso6] C57H106O6 IVNMDNGRUSIGST-SPSCBPQESA-N +BMDB63409 884.783291069 TG(16:0/18:0/20:3(8Z,11Z,14Z))[iso6] C57H104O6 FAWROKQWRPDLOA-LWFFWPLASA-N +BMDB63410 880.75199094 TG(16:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C57H100O6 WGKBXGXZUVULLG-YWSSWCCTSA-N +BMDB63411 906.767641004 TG(16:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C59H102O6 FXRPCDPGZXCYFO-URLGBJIISA-N +BMDB63412 854.736340876 TG(16:0/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6] C55H98O6 ZZYGNXBDVZTTTC-HPABRVSLSA-N +BMDB63413 854.736340876 TG(16:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6] C55H98O6 HMIFBOVAIYAEFO-HPUGMXJKSA-N +BMDB63414 852.720690811 TG(16:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))[iso6] C55H96O6 WZPQAQGIOSQQKF-FXYJTYFCSA-N +BMDB63415 884.783291069 TG(16:0/18:1(9Z)/20:2(11Z,14Z))[iso6] C57H104O6 JQSCFVCYBPEHML-FQZFDGJESA-N +BMDB63416 882.767641004 TG(16:0/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6] C57H102O6 XSESJUIKHHMUIV-YKSSUTHUSA-N +BMDB63417 878.736340876 TG(16:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C57H98O6 UWGNMVQVXFWGDQ-HGRKZAAOSA-N +BMDB63418 906.767641004 TG(16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C59H102O6 PIUUVQYTIKPYIJ-DQZXQKPZSA-N +BMDB63419 852.720690811 TG(16:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso6] C55H96O6 PWAOXOJAJJJACV-OZKNWNTQSA-N +BMDB63420 852.720690811 TG(16:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso6] C55H96O6 MVAGPZSVOSGBMR-QCSLZTMBSA-N +BMDB63421 882.767641004 TG(16:0/18:2(9Z,12Z)/20:2(11Z,14Z))[iso6] C57H102O6 BAJHYMHNWFZWKC-BGIXKNGDSA-N +BMDB63422 880.75199094 TG(16:0/18:2(9Z,12Z)/20:3(8Z,11Z,14Z))[iso6] C57H100O6 UWIJLBUWLZZSBQ-HPSHXTDLSA-N +BMDB63423 906.767641004 TG(16:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C59H102O6 AHWNOAGNHSGYCM-DNYOHQOYSA-N +BMDB63424 870.767641004 TG(16:0/18:3(6Z,9Z,12Z)/19:0)[iso6] C56H102O6 MMIUAFXTHLIRFK-VMCCCXHFSA-N +BMDB63425 884.783291069 TG(16:0/18:3(6Z,9Z,12Z)/20:0)[iso6] C57H104O6 SAKURFWWZUPUGR-IKGQCQCDSA-N +BMDB63426 882.767641004 TG(16:0/18:3(6Z,9Z,12Z)/20:1(11Z))[iso6] C57H102O6 ATZQIXHEMLCJGM-VGOFJGDUSA-N +BMDB63427 880.75199094 TG(16:0/18:3(6Z,9Z,12Z)/20:2(11Z,14Z))[iso6] C57H100O6 OLDVVLPHLVANLD-ODFJVYEESA-N +BMDB63428 878.736340876 TG(16:0/18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))[iso6] C57H98O6 GPWKFLDDTKOSOY-CREDTSOHSA-N +BMDB63429 870.767641004 TG(16:0/18:3(9Z,12Z,15Z)/19:0)[iso6] C56H102O6 BEMBZEMYDNQORJ-BBGBDTNPSA-N +BMDB63430 884.783291069 TG(16:0/18:3(9Z,12Z,15Z)/20:0)[iso6] C57H104O6 QMOIIDCAFLCLKL-DXRFALFFSA-N +BMDB63431 882.767641004 TG(16:0/18:3(9Z,12Z,15Z)/20:1(11Z))[iso6] C57H102O6 PDTAQKYFJJGDCD-YKXTZBHWSA-N +BMDB63432 880.75199094 TG(16:0/18:3(9Z,12Z,15Z)/20:2(11Z,14Z))[iso6] C57H100O6 QUFRRPUAEDKDEW-CYNWPRIGSA-N +BMDB63433 878.736340876 TG(16:0/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))[iso6] C57H98O6 RCTFSXXAFDXOOG-ZHQRDAHOSA-N +BMDB63434 868.75199094 TG(16:0/18:4(6Z,9Z,12Z,15Z)/19:0)[iso6] C56H100O6 JLEBZIDXBSPVEI-HSAZZYPISA-N +BMDB63435 882.767641004 TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:0)[iso6] C57H102O6 PDFFYHNLAKMFAW-VRQFSDKGSA-N +BMDB63436 880.75199094 TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))[iso6] C57H100O6 VWRXQZKIYNYMGG-RZIQDICVSA-N +BMDB63437 878.736340876 TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))[iso6] C57H98O6 QUYHARLNKAANBC-MIFDXABCSA-N +BMDB63438 906.767641004 TG(16:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C59H102O6 SSGHUNZCTBPNHZ-WDBPRSLVSA-N +BMDB63439 906.767641004 TG(16:0/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H102O6 KOKYYOZUDSMORZ-RVOKLDRWSA-N +BMDB63440 906.767641004 TG(16:0/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3] C59H102O6 IEFYSGXZIYBWNF-TYZDOYEVSA-N +BMDB63441 816.720690811 TG(16:1(9Z)/16:1(9Z)/17:0)[iso3] C52H96O6 QZYSUBAQYSVFNX-PSMULLBHSA-N +BMDB63442 844.75199094 TG(16:1(9Z)/16:1(9Z)/19:0)[iso3] C54H100O6 RCTFXDPMSHIQTH-LFMSVABCSA-N +BMDB63443 854.736340876 TG(16:1(9Z)/16:1(9Z)/20:2(11Z,14Z))[iso3] C55H98O6 TZRLBGSETAVVDN-FCDMSKNPSA-N +BMDB63444 852.720690811 TG(16:1(9Z)/16:1(9Z)/20:3(8Z,11Z,14Z))[iso3] C55H96O6 YLSQMGKHEUFXMJ-LLQVRATESA-N +BMDB63445 886.798941124 TG(16:1(9Z)/16:1(9Z)/22:0)[iso3] C57H106O6 GOLXXQRKCMOJGT-KXSDLMDJSA-N +BMDB63446 884.783291069 TG(16:1(9Z)/16:1(9Z)/22:1(13Z))[iso3] C57H104O6 HJRVVCOWJQUKTM-ILPUFSCISA-N +BMDB63447 878.736340876 TG(16:1(9Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso3] C57H98O6 ULPAJHKZIZPHLP-MLKQJLBNSA-N +BMDB63448 832.75199094 TG(16:1(9Z)/17:0/17:0)[iso3] C53H100O6 DSPFGQOCKPWWTL-NURROHNTSA-N +BMDB63449 846.767641004 TG(16:1(9Z)/17:0/18:0)[iso6] C54H102O6 VJOGKQKBWBCRFS-PLQIPONWSA-N +BMDB63450 844.75199094 TG(16:1(9Z)/17:0/18:1(9Z))[iso6] C54H100O6 IYMPJAZCIWGTJL-SADCDALBSA-N +BMDB63451 842.736340876 TG(16:1(9Z)/17:0/18:2(9Z,12Z))[iso6] C54H98O6 JZOHEVWPVBMMRQ-RCYQLFAGSA-N +BMDB63452 840.720690811 TG(16:1(9Z)/17:0/18:3(6Z,9Z,12Z))[iso6] C54H96O6 ZWZOQPNBFJCOLV-DWWGTDETSA-N +BMDB63453 840.720690811 TG(16:1(9Z)/17:0/18:3(9Z,12Z,15Z))[iso6] C54H96O6 UQVNCTOQWNCEKB-TZYGYGRMSA-N +BMDB63454 838.705040747 "TG(16:1(9Z)/17:0/18:4(6Z,9Z,12Z,15Z)) [iso6]" C54H94O6 RQWKOTDBFFRFCB-ZIUPLRSQSA-N +BMDB63455 870.767641004 TG(16:1(9Z)/17:0/20:2(11Z,14Z))[iso6] C56H102O6 UCRNOYAYVANCJQ-SYYSRGLNSA-N +BMDB63456 868.75199094 TG(16:1(9Z)/17:0/20:3(8Z,11Z,14Z))[iso6] C56H100O6 NYSVRQLIUIHBAY-FVHUFCPMSA-N +BMDB63457 866.736340876 TG(16:1(9Z)/17:0/20:4(5Z,8Z,11Z,14Z))[iso6] C56H98O6 YXSZUNCJXFSKTR-WZSPDGFKSA-N +BMDB63458 864.720690811 TG(16:1(9Z)/17:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C56H96O6 AKDVWAHETIXOFY-BGDHZSDESA-N +BMDB63459 892.75199094 TG(16:1(9Z)/17:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C58H100O6 JSIAWLQCIPHHEG-JATIUROSSA-N +BMDB63460 890.736340876 TG(16:1(9Z)/17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C58H98O6 ALULOWZNTGURIV-ACORNCQLSA-N +BMDB63461 854.736340876 TG(16:1(9Z)/18:0/18:3(6Z,9Z,12Z))[iso6] C55H98O6 DJFHIFMJEYKBGL-GFUSBGQSSA-N +BMDB63462 854.736340876 TG(16:1(9Z)/18:0/18:3(9Z,12Z,15Z))[iso6] C55H98O6 GEKZYIPUAKKNKE-QIWFWJCZSA-N +BMDB63463 852.720690811 TG(16:1(9Z)/18:0/18:4(6Z,9Z,12Z,15Z))[iso6] C55H96O6 JLEMYYGTXQHVFE-GMMGLHSYSA-N +BMDB63464 884.783291069 TG(16:1(9Z)/18:0/20:2(11Z,14Z))[iso6] C57H104O6 WACLWOAQCVZQHO-ISJYKPTOSA-N +BMDB63465 882.767641004 TG(16:1(9Z)/18:0/20:3(8Z,11Z,14Z))[iso6] C57H102O6 WXMJAPVKXZKBEF-BRFSOIGOSA-N +BMDB63466 878.736340876 TG(16:1(9Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C57H98O6 QRUQSCZKIVNCMK-ABLNOMLMSA-N +BMDB63467 906.767641004 TG(16:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C59H102O6 BLQLNWGWKYGWQK-CLWLIQGKSA-N +BMDB63468 852.720690811 TG(16:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6] C55H96O6 BTLLBFZSJPKPDE-QOAZIEKCSA-N +BMDB63469 852.720690811 TG(16:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6] C55H96O6 CDPGTJRMESRMBM-YUXMUTLDSA-N +BMDB63470 882.767641004 TG(16:1(9Z)/18:1(9Z)/20:2(11Z,14Z))[iso6] C57H102O6 ONYOXARKNBCDOW-QLOILVOSSA-N +BMDB63471 880.75199094 TG(16:1(9Z)/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6] C57H100O6 QXRVJZIWSZYNFE-PVWIZGPTSA-N +BMDB63472 906.767641004 TG(16:1(9Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C59H102O6 ZTSJYJYYBZBVKX-WXZPVFIASA-N +BMDB63473 870.767641004 TG(16:1(9Z)/18:2(9Z,12Z)/19:0)[iso6] C56H102O6 HJQWIRUYVPQAFR-PLBCZWSDSA-N +BMDB63474 880.75199094 TG(16:1(9Z)/18:2(9Z,12Z)/20:2(11Z,14Z))[iso6] C57H100O6 PASRUCZTFLIYBM-IJRUJQFPSA-N +BMDB63475 878.736340876 TG(16:1(9Z)/18:2(9Z,12Z)/20:3(8Z,11Z,14Z))[iso6] C57H98O6 FMRKXOSKBRKVCM-KKNBMUBZSA-N +BMDB63476 868.75199094 TG(16:1(9Z)/18:3(6Z,9Z,12Z)/19:0)[iso6] C56H100O6 HFYCOLQPBBJXJA-NSQRKDLASA-N +BMDB63477 882.767641004 TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:0)[iso6] C57H102O6 CDDMLDFHOOIDDR-IKVHAPJZSA-N +BMDB63478 880.75199094 TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:1(11Z))[iso6] C57H100O6 WXMOURHYAWKCON-TWNFZGQVSA-N +BMDB63479 878.736340876 TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:2(11Z,14Z))[iso6] C57H98O6 XZYPNCDNAQJUNT-IUKBTZBSSA-N +BMDB63480 868.75199094 TG(16:1(9Z)/18:3(9Z,12Z,15Z)/19:0)[iso6] C56H100O6 SQAMASKSVQRATP-ULGKXKKNSA-N +BMDB63481 882.767641004 TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:0)[iso6] C57H102O6 HLTSKBNGPCVUQB-GBISFHARSA-N +BMDB63482 880.75199094 TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:1(11Z))[iso6] C57H100O6 ITVZPSFYQXIRPA-VOFAGOTGSA-N +BMDB63483 878.736340876 TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:2(11Z,14Z))[iso6] C57H98O6 IQYIGUDLVCVSII-PCGFFDOBSA-N +BMDB63484 866.736340876 TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/19:0)[iso6] C56H98O6 XMWDGKXOZBJHSI-APXDZQRCSA-N +BMDB63485 880.75199094 TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:0)[iso6] C57H100O6 ZTNCEOWHIGXJAM-CAYPXVCWSA-N +BMDB63486 878.736340876 TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))[iso6] C57H98O6 UFZAMUNCCQBRIA-OYEDPGNGSA-N +BMDB63487 892.75199094 TG(16:1(9Z)/19:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C58H100O6 JCHWIDWIRCEUSB-HGOAQJBGSA-N +BMDB63488 906.767641004 TG(16:1(9Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C59H102O6 MEAHLQMABQGZDE-FPIFSRQVSA-N +BMDB63489 906.767641004 TG(16:1(9Z)/20:2(11Z,14Z)/20:3(8Z,11Z,14Z))[iso6] C59H102O6 CLIHEBNFPBZHNL-XIAOPSCWSA-N +BMDB63490 858.767641004 TG(17:0/17:0/18:2(9Z,12Z))[iso3] C55H102O6 ZGSLFWOGQIOBFL-VVPOTBMCSA-N +BMDB63491 856.75199094 TG(17:0/17:0/18:3(6Z,9Z,12Z))[iso3] C55H100O6 VRPYQTOQXLDFMX-SPTFLQPBSA-N +BMDB63492 856.75199094 TG(17:0/17:0/18:3(9Z,12Z,15Z))[iso3] C55H100O6 NKZUGKBNYDSITN-VDZWBLLGSA-N +BMDB63493 854.736340876 TG(17:0/17:0/18:4(6Z,9Z,12Z,15Z))[iso3] C55H98O6 YTTQBWQDYUFCSA-NAFCWSLPSA-N +BMDB63494 886.798941133 TG(17:0/17:0/20:2(11Z,14Z))[iso3] C57H106O6 YTVHAAFNMKPYPC-KJFPCCCASA-N +BMDB63495 884.783291069 TG(17:0/17:0/20:3(8Z,11Z,14Z))[iso3] C57H104O6 YNILOPAJJGLMFA-DNQJGVSOSA-N +BMDB63496 882.767641004 TG(17:0/17:0/20:4(5Z,8Z,11Z,14Z))[iso3] C57H102O6 HFMQRBDGAXXEPX-CBJYRBMGSA-N +BMDB63497 880.75199094 TG(17:0/17:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso3] C57H100O6 CZNAEULIOKMPIT-KLHJYXIRSA-N +BMDB63498 906.767641004 TG(17:0/17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] C59H102O6 VUUDLKGZZONILP-LKHIMEMDSA-N +BMDB63499 870.767641004 TG(17:0/18:0/18:3(6Z,9Z,12Z))[iso6] C56H102O6 XGSYVNUYOAPADT-FPTDWALLSA-N +BMDB63500 870.767641004 TG(17:0/18:0/18:3(9Z,12Z,15Z))[iso6] C56H102O6 FHGCKCMUAGEPBN-VZHYTBPDSA-N +BMDB63501 868.75199094 TG(17:0/18:0/18:4(6Z,9Z,12Z,15Z))[iso6] C56H100O6 WHQHLXXVJFGIHA-FOWMKEALSA-N +BMDB63502 870.767641004 TG(17:0/18:1(9Z)/18:2(9Z,12Z))[iso6] C56H102O6 NIBMDPFMDDQNNX-ZIZOGWBTSA-N +BMDB63503 868.75199094 TG(17:0/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6] C56H100O6 WGTFIXDSYLYPIO-BGZYNWNKSA-N +BMDB63504 868.75199094 TG(17:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6] C56H100O6 RLDKFJHHHPZZSZ-OQLDQSHXSA-N +BMDB63505 866.736340876 TG(17:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))[iso6] C56H98O6 PMGHPLURWDJYIA-RJGAYMEZSA-N +BMDB63506 892.75199094 TG(17:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C58H100O6 IZABRXOLKZSJQE-FSXITCNNSA-N +BMDB63507 868.75199094 TG(17:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C56H100O6 KDMIHSMAUYYFRT-CVUWVRRUSA-N +BMDB63508 866.736340876 TG(17:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso6] C56H98O6 DFXCMORZVKLRKD-YAVDIEDFSA-N +BMDB63509 866.736340876 TG(17:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso6] C56H98O6 YKYBJYBGJSSOPS-BAIMUXHHSA-N +BMDB63510 864.720690811 TG(17:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))[iso6] C56H96O6 QYXDPUCJKHASSS-QTXXCDAOSA-N +BMDB63511 886.798941133 TG(17:0/18:2(9Z,12Z)/19:0)[iso6] C57H106O6 ODVIBCXVHRRTPD-IEHWOXSQSA-N +BMDB63512 892.75199094 TG(17:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C58H100O6 BXAPIWIPIAIOFJ-GLSIKBKESA-N +BMDB63513 890.736340876 TG(17:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C58H98O6 ROGWRURLPSZEGG-VPCCGMSKSA-N +BMDB63514 864.720690811 TG(17:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))[iso3] C56H96O6 PGKDOVRUFMWBJF-PFRCZTMUSA-N +BMDB63515 864.720690811 TG(17:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))[iso6] C56H96O6 CKBRAQLYLBQRIX-AONJIWAKSA-N +BMDB63516 884.783291069 TG(17:0/18:3(6Z,9Z,12Z)/19:0)[iso6] C57H104O6 ZPZYLUILMNHVJP-IKGQCQCDSA-N +BMDB63517 892.75199094 TG(17:0/18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))[iso6] C58H100O6 SQYGFAHCJUUPQR-OVOORJLESA-N +BMDB63518 890.736340876 TG(17:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C58H98O6 DLPMNSVMPLSBDG-FHRCQLBLSA-N +BMDB63519 888.720690811 TG(17:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C58H96O6 LSJAABCNVHPDCI-MJOXPQNPSA-N +BMDB63520 864.720690811 TG(17:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))[iso3] C56H96O6 IYGOQYAYRRPIQZ-HWVCCPOJSA-N +BMDB63521 884.783291069 TG(17:0/18:3(9Z,12Z,15Z)/19:0)[iso6] C57H104O6 MPTJQWHQNGQSMW-DXRFALFFSA-N +BMDB63522 892.75199094 TG(17:0/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))[iso6] C58H100O6 LEMUJBJDTUDJMD-GTHCODMRSA-N +BMDB63523 890.736340876 TG(17:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C58H98O6 YRLWGWBRSRAFBX-SKTBQBPLSA-N +BMDB63524 888.720690811 TG(17:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C58H96O6 OWYKVBJUHHPYNY-FJNLLGRXSA-N +BMDB63525 882.767641004 TG(17:0/18:4(6Z,9Z,12Z,15Z)/19:0)[iso6] C57H102O6 FPVCQWQOFRSFDA-VRQFSDKGSA-N +BMDB63526 892.75199094 TG(17:0/18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))[iso6] C58H100O6 RUIGDQLAZOLYQB-JZCNPKAMSA-N +BMDB63527 890.736340876 TG(17:0/18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))[iso6] C58H98O6 HIKCIZUSEJHKHD-WIJABWIISA-N +BMDB63528 888.720690811 TG(17:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C58H96O6 OOKGPTVMPAIFEM-LHLIHLHHSA-N +BMDB63529 886.705040747 TG(17:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C58H94O6 JQODABMELXPSIL-GKTKKIEXSA-N +BMDB63530 884.783291069 TG(18:0/18:0/18:3(6Z,9Z,12Z))[iso3] C57H104O6 KQKXUUFGXDXTLP-JSNAXDNMSA-N +BMDB63531 884.783291069 TG(18:0/18:0/18:3(9Z,12Z,15Z))[iso3] C57H104O6 UFGXGACWXCNPJD-HRISYRPYSA-N +BMDB63532 882.767641004 TG(18:0/18:0/18:4(6Z,9Z,12Z,15Z))[iso3] C57H102O6 QDQDETHJEUGTEX-WOYOQTORSA-N +BMDB63533 882.767641004 TG(18:0/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6] C57H102O6 JOJVDNJANFYSHZ-DBCJGJTESA-N +BMDB63534 882.767641004 TG(18:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6] C57H102O6 BRLGHZXETDWABO-NOFIOOQLSA-N +BMDB63535 880.75199094 TG(18:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))[iso6] C57H100O6 IXDYCTWELIBSSO-MYNDMTSSSA-N +BMDB63536 906.767641004 TG(18:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C59H102O6 BLNSKVFNUJRUQY-WNXRKLEXSA-N +BMDB63537 880.75199094 TG(18:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso6] C57H100O6 FOOVNYMOCOZYCS-XZXQMJNPSA-N +BMDB63538 880.75199094 TG(18:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso6] C57H100O6 CFIAQJQGPHURGU-FFRWHZMHSA-N +BMDB63539 878.736340876 TG(18:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))[iso6] C57H98O6 DQBBVSOYDVFHHR-ALECUMLNSA-N +BMDB63540 878.736340876 TG(18:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))[iso3] C57H98O6 YFSUXBREMFQRTA-RCTPIDLSSA-N +BMDB63541 878.736340876 TG(18:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))[iso6] C57H98O6 NSVZZMLKVNWYJQ-RTBIBGFGSA-N +BMDB63542 906.767641004 TG(18:0/18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))[iso6] C59H102O6 DTZRWGXUFSGPFR-MAQKVQBLSA-N +BMDB63543 878.736340876 TG(18:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))[iso3] C57H98O6 DKDIPDJHNARQPL-VVBSAFLRSA-N +BMDB63544 906.767641004 TG(18:0/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))[iso6] C59H102O6 BLUDAFKQGMJGEC-NGLAXFQYSA-N +BMDB63545 906.767641004 TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))[iso6] C59H102O6 NXJJDBZGHIYKEZ-HPNWPOBHSA-N +BMDB63546 880.751990932 TG(18:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z))[iso3] C57H100O6 GOEUQPTVSLNGLY-SIPJYBKGSA-N +BMDB63547 878.736340876 TG(18:1(9Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))[iso3] C57H98O6 LXSVMCLLFGNHGU-TXMXRHPOSA-N +BMDB63548 878.736340876 TG(18:1(9Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso6] C57H98O6 IXLZJCDOWKHYDW-ZSOPFFCFSA-N +BMDB63549 878.736340876 TG(18:1(9Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso6] C57H98O6 OTUIORVXGJUHBH-QVHNWUKDSA-N +BMDB63550 906.767641004 TG(18:1(9Z)/18:2(9Z,12Z)/20:3(8Z,11Z,14Z))[iso6] C59H102O6 QVHPQMFZIADWSB-DUXSNVJQSA-N +BMDB63551 906.767641004 TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:2(11Z,14Z))[iso6] C59H102O6 AQAMVFXGOIAPNB-QGGAJVRASA-N +BMDB63552 906.767641004 TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:2(11Z,14Z))[iso6] C59H102O6 XKXXQSRUTFKWEA-XBYCHKDGSA-N +BMDB63553 906.767641004 TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))[iso6] C59H102O6 NEZJLYSHWRBTKF-SHZXWNAJSA-N +BMDB63554 906.767641004 TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(11Z))[iso6] C59H102O6 PYHHMOTVUBGCGU-KDBYXRCCSA-N +BMDB63555 906.767641004 TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:1(11Z))[iso6] C59H102O6 OPAZFAIACILRAX-LYHHFUMBSA-N +BMDB63556 892.75199094 TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/19:0)[iso6] C58H100O6 IWSIQFSLWTWZBM-IBAUZGQOSA-N +BMDB63557 906.767641004 TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:0)[iso6] C59H102O6 OUDDBCROTIJNID-HESJFKEISA-N +BMDB63558 892.75199094 TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/19:0)[iso3] C58H100O6 SHFNNWWHRVJQLJ-RRTHCMCYSA-N +BMDB63559 906.767641004 TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:0)[iso3] C59H102O6 WTJCHFNBXDEBKO-SHJQGDKGSA-N +BMDB63560 892.75199094 TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/19:0)[iso6] C58H100O6 NUGPJMHUHWYFBO-HAVTXTANSA-N +BMDB63561 906.767641004 TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:0)[iso6] C59H102O6 FTCKBISNHQAXOS-XQWGTCMGSA-N +BMDB63562 890.736340876 TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/19:0)[iso6] C58H98O6 NIQMENRTBFBVFB-YZTHFXLSSA-N +BMDB63563 892.75199094 TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/19:0)[iso3] C58H100O6 KBAPIIQCFAUULH-OTKJKKTOSA-N +BMDB63564 906.767641004 TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:0)[iso3] C59H102O6 JAWLPRKTMXIDRD-VBJGMMQBSA-N +BMDB63565 890.736340876 TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/19:0)[iso6] C58H98O6 OOGDYJZDYDFBBH-HRQMDNMZSA-N +BMDB63566 888.720690811 TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/19:0)[iso3] C58H96O6 PDSFPTSIGNJEQL-CEIJWCSWSA-N +BMDB63567 728.583225334 "SM(d18:0/18:2(9Z,12Z)) " C41H81N2O6P LOHIJJRFCAEEGY-QPYJHBIRSA-N +BMDB63568 828.708425849 "SM(d19:0/24:1(15Z)) " C48H97N2O6P LXMARZYBSFYVSY-KUQVZNNZSA-N +BMDB63569 814.692775294 "SM(d18:0/24:1(15Z)) " C47H95N2O6P XZBDYCJQWJNNJB-CFLZVKAOSA-N +BMDB63570 842.724075914 "SM(d20:0/24:1(15Z)) " C49H99N2O6P JWKOQODXKXAOQW-ALKNTWKZSA-N +BMDB63571 240.208930142 "10Z-Pentadecenoic acid" C15H28O2 APXSAEQXOXTDAM-WAYWQWQTSA-N +BMDB63572 282.255880332 "6E-Octadecenoic acid" C18H34O2 CNVZJPUDSLNTQU-OUKQBFOZSA-N +BMDB63573 282.255880332 "7E-Octadecenoic acid" C18H34O2 RVUCYJXFCAVHNC-VAWYXSNFSA-N +BMDB63574 282.255880335 "trans-8-Elaidic acid" C18H34O2 WRIDQFICGBMAFQ-ZHACJKMWSA-N +BMDB63575 282.255880332 "9E-Octadecenoic acid" C18H34O2 ZQPPMHVWECSIRJ-MDZDMXLPSA-N +BMDB63576 282.255880332 "10E-Octadecenoic acid" C18H34O2 QXJSBBXBKPUZAA-CMDGGOBGSA-N +BMDB63577 282.255880335 "trans-12-Elaidic acid" C18H34O2 OXEDXHIBHVMDST-VOTSOKGWSA-N +BMDB63578 336.302830528 "5Z,13Z-Docosadienoic acid" C22H40O2 ILJOFPXBYTXXCP-PWTUJKELSA-N +BMDB63579 328.240230268 "4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoic acid" C22H32O2 MBMBGCFOFBJSGT-KUBAVDMBSA-N +BMDB63580 688.551925205 SM(16:1(11E)/17:0) C38H77N2O6P NFKIRSWGHHRNCC-FQCGQDBESA-N +BMDB63581 702.56757527 SM(16:1(11E)/18:0) C39H79N2O6P SHHZAYWGLRSCPR-CTJXKQIDSA-N +BMDB63582 700.551925205 SM(16:1(11E)/18:1(11E)) C39H77N2O6P OLTDDQQBTMKIJV-XNYODWHASA-N +BMDB63583 716.583225334 SM(16:1(11E)/19:0) C40H81N2O6P SEWCPYNJRIBRDH-ACOKGBTCSA-N +BMDB63584 730.598875399 SM(16:1(11E)/20:0) C41H83N2O6P LYUBDOFTFDCHCS-FVSABMTJSA-N +BMDB63585 728.583225334 SM(18:1(11E)/18:1(9E)) C41H81N2O6P PDJBDVPBAZFKPT-PRCCPDMFSA-N +BMDB63586 758.630175527 SM(18:1(11E)/20:0) C43H87N2O6P KFYASDPSVLPJFZ-RLUGYQEDSA-N +BMDB63588 772.645825592 SM(18:1(11E)/21:0) C44H89N2O6P ZZOWDUOKDXULKW-MQDRILMCSA-N +BMDB63589 786.661475656 SM(18:1(11E)/22:0) C45H91N2O6P YWTQZDQCLLJJMO-SKACQKSKSA-N +BMDB63590 784.645825592 SM(18:2(9E,12E)/22:0) C45H89N2O6P KNKHTTBVLRIQFG-URMKVRBYSA-N +BMDB63591 800.677125721 SM(17:1(10E)/24:0) C46H93N2O6P WDCZPNUFGZODRI-NELHSPAMSA-N +BMDB63592 798.661475656 SM(18:2(9E,12E)/23:0) C46H91N2O6P ZRKFXRCPPWXSJE-ADZKJEMBSA-N +BMDB63593 814.692775785 SM(18:1(11E)/24:0) C47H95N2O6P PYLWNJICBMYPHE-LCHFQSLOSA-N +BMDB63594 842.724075914 SM(18:2(9E,12E)/24:0) C49H99N2O6P AJTHGVHRBBWIEP-FVNSHYMDSA-N +BMDB63595 828.708425849 SM(19:0/24:1(15Z)) C48H97N2O6P LXMARZYBSFYVSY-KUQVZNNZSA-N +BMDB63596 842.724075914 SM(20:0/24:1(15Z)) C49H99N2O6P JWKOQODXKXAOQW-ALKNTWKZSA-N +BMDB63598 602.527410734 DG(O-16:0/20:4(8E,11E,14E,17E)) C39H70O4 ZOQPRIBCWWPWEH-LGUDIITJSA-N +BMDB63599 730.647525862 DG(24:0/20:3(8Z,11Z,14Z) C47H86O5 VOJMKRSTEQMACO-SNGWNOJZSA-N +BMDB63600 170.021523293 "gallic acid" C7H6O5 LNTHITQWFMADLM-UHFFFAOYSA-N +BMDB63601 361.8757165 Aldrin C12H8Cl6 QBYJBZPUGVGKQQ-SJJAEHHWSA-N +BMDB63602 287.8600664 alpha-Hexachlorocyclohexane(HCH) C6H6Cl6 JLYXXMFPNIAWKQ-LKPKBOIGSA-N +BMDB63604 215.09377318 "atrazine " C8H14ClN5 MXWJVTOOROXGIU-UHFFFAOYSA-N +BMDB63605 287.860066434 beta-Hexachlorocyclohexane(HCH) C6H6Cl6 JLYXXMFPNIAWKQ-CDRYSYESSA-N +BMDB63606 287.860066434 delta-Hexachlorocyclohexane C6H6Cl6 JLYXXMFPNIAWKQ-GPIVLXJGSA-N +BMDB63609 287.860066434 gamma-Hexachlorocyclohexane(HCH) C6H6Cl6 JLYXXMFPNIAWKQ-GNIYUCBRSA-N +BMDB63610 317.953661148 "o,p′-DDD" C14H10Cl4 JWBOIMRXGHLCPP-UHFFFAOYSA-N +BMDB63611 315.9380111 "o,p′-DDE" C14H8Cl4 ZDYJWDIWLRZXDB-UHFFFAOYSA-N +BMDB63612 351.914688823 "o,p′-DDT" C14H9Cl5 CVUGPAFCQJIYDT-UHFFFAOYSA-N +BMDB63613 261.063722467 "Oxolinic Acid " C13H11NO5 KYGZCKSPAKDVKC-UHFFFAOYSA-N +BMDB63614 317.953661148 "p,p′-DDD" C14H10Cl4 AHJKRLASYNVKDZ-UHFFFAOYSA-N +BMDB63615 315.938011084 "p,p′-DDE" C14H8Cl4 UCNVFOCBFJOQAL-UHFFFAOYSA-N +BMDB63616 351.914688823 "p,p′-DDT" C14H9Cl5 YVGGHNCTFXOJCH-UHFFFAOYSA-N +BMDB63619 403.8168814 beta-endosulfan C9H6Cl6O3S RDYMFSUJUZBWLH-FYHLGZKHSA-N +BMDB63620 403.8168814 alpha-endosulfan C9H6Cl6O3S RDYMFSUJUZBWLH-AMHWMVONSA-N +BMDB63621 537.512095021 Cer(d18:0/16:1(11Z)) C34H67NO3 CNOVLYHRDNYVLT-DIBQBJQOSA-N +BMDB63622 593.574695279 Cer(d18:0/20:1(11Z)) C38H75NO3 PULBITQLTXYVQX-FMECKOKGSA-N +BMDB63623 635.621645472 Cer(d17:0/24:1(15Z)) C41H81NO3 ILZGEVUWFUWJOI-QVEKJMDDSA-N +BMDB63624 647.621645472 Cer(d20:0/22:2(6Z,13Z)) C42H81NO3 ABZIJOKCYYZWFJ-LHRBHQDFSA-N +BMDB63625 152.047344122 "3-Cresotinic acid" C8H8O3 WHSXTWFYRGOBGO-UHFFFAOYSA-N +BMDB63626 188.116092388 Glycyl-Isoleucine C8H16N2O3 KGVHCTWYMPWEGN-UHFFFAOYSA-N +BMDB63627 226.106590334 Histidinyl-Alanine C9H14N4O3 FRJIAZKQGSCKPQ-UHFFFAOYSA-N +BMDB63628 207.125928791 Phenyl-Leucine C12H17NO2 GUKOKXKMWGOHJJ-NSHDSACASA-N +BMDB63629 238.095356946 Tyrosyl-Glycine C11H14N2O4 HPYDSVWYXXKHRD-UHFFFAOYSA-N +BMDB63630 925.749956311 PC(24:0/22:2(6Z,13Z)) C54H104NO8P QYVKBNMHUYGIRK-IHXGGWPCSA-N +BMDB63631 877.692441433 PC(O-22:0/22:5(7Z,10Z,13Z,16Z,19Z)) C52H96NO7P VNNPAAOAYXMMKU-JCWXPRBNSA-N +BMDB63632 240.089022153 Cyanazine C9H13ClN6 MZZBPDKVEFVLFF-UHFFFAOYSA-N +BMDB63633 241.136116323 Prometryn C10H19N5S AAEVYOVXGOFMJO-UHFFFAOYSA-N +BMDB63634 201.078123116 Simazine C7H12ClN5 ODCWYMIRDDJXKW-UHFFFAOYSA-N +BMDB63635 241.136116323 Terbutryn C10H19N5S IROINLKCQGIITA-UHFFFAOYSA-N
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/out05.tabular Tue Jan 14 05:21:23 2020 -0500 @@ -0,0 +1,6737 @@ +HMDB_ID MzBank MetName ChemFormula INChIkey +HMDB0000001 169.085126611 1-Methylhistidine C7H11N3O2 BRMWTNUJHUMWMS-LURJTMIESA-N +HMDB0000002 74.08439833 1,3-Diaminopropane C3H10N2 XFNJVJPLKCPIBV-UHFFFAOYSA-N +HMDB0000008 104.047344122 "2-Hydroxybutyric acid" C4H8O3 AFENDNXGAFYKQO-UHFFFAOYSA-N +HMDB0000012 228.074621504 Deoxyuridine C9H12N2O5 MXHRCPNRJAMMIM-SHYZEUOFSA-N +HMDB0000014 227.090605919 Deoxycytidine C9H13N3O4 CKTSBUTUHBMZGZ-SHYZEUOFSA-N +HMDB0000015 346.214409448 Cortexolone C21H30O4 WHBHBVVOGNECLV-OBQKJFGGSA-N +HMDB0000017 183.053157781 "4-Pyridoxic acid" C8H9NO4 HXACOUQIXZGNBF-UHFFFAOYSA-N +HMDB0000019 116.047344122 "alpha-Ketoisovaleric acid" C5H8O3 QHKABHOOEWYVLI-UHFFFAOYSA-N +HMDB0000020 152.047344122 "p-Hydroxyphenylacetic acid" C8H8O3 XQXPVVBIMDBYFF-UHFFFAOYSA-N +HMDB0000023 104.047344122 "(S)-3-Hydroxyisobutyric acid" C4H8O3 DBXBTMSZEOQQDU-VKHMYHEASA-N +HMDB0000026 132.053492132 "Ureidopropionic acid" C4H8N2O3 JSJWCHRYRHKBBW-UHFFFAOYSA-N +HMDB0000027 241.117489371 Tetrahydrobiopterin C9H15N5O3 FNKQXYHWGSIFBK-UHFFFAOYSA-N +HMDB0000030 244.088163078 Biotin C10H16N2O3S YBJHBAHKTGYVGT-ZKWXMUAHSA-N +HMDB0000033 226.106590334 Carnosine C9H14N4O3 CQOVPNPJLQNMDC-ZETCQYMHSA-N +HMDB0000034 135.054495185 Adenine C5H5N5 GFFGJBXGBJISGV-UHFFFAOYSA-N +HMDB0000036 515.291673489 "Taurocholic acid" C26H45NO7S WBWWGRHZICKQGZ-HZAMXZRMSA-N +HMDB0000038 239.101839307 Dihydrobiopterin C9H13N5O3 FEMXZDUTFRTWPE-UHFFFAOYSA-N +HMDB0000039 88.0524295 "Butyric acid" C4H8O2 FERIUCNNQQJTOY-UHFFFAOYSA-N +HMDB0000042 60.021129372 "Acetic acid" C2H4O2 QTBSBXVTEAMEQO-UHFFFAOYSA-N +HMDB0000043 117.078978601 Betaine C5H11NO2 KWIUHFFTVRNATP-UHFFFAOYSA-N +HMDB0000045 347.063084339 "Adenosine monophosphate" C10H14N5O7P UDMBCSSLTHHNCD-KQYNXXCUSA-N +HMDB0000050 267.096753929 Adenosine C10H13N5O4 OIRDTQYFTABQOQ-KQYNXXCUSA-N +HMDB0000054 584.263484904 Bilirubin C33H36N4O6 BPYKTIZUTYGOLE-IFADSCNNSA-N +HMDB0000056 89.047678473 beta-Alanine C3H7NO2 UCMIRNVEIXFBKS-UHFFFAOYSA-N +HMDB0000058 329.052519653 "Cyclic AMP" C10H12N5O6P IVOMOUWHDPKRLL-KQYNXXCUSA-N +HMDB0000060 102.031694058 "Acetoacetic acid" C4H6O3 WDJHALXBUFZDSR-UHFFFAOYSA-N +HMDB0000062 161.105193351 L-Carnitine C7H15NO3 PHIQHXFUZVPYII-ZCFIWIBFSA-N +HMDB0000064 131.069476547 Creatine C4H9N3O2 CVSVTCORWBXHQV-UHFFFAOYSA-N +HMDB0000067 386.354866094 Cholesterol C27H46O HVYWMOMLDIMFJA-DPAQBDIFSA-N +HMDB0000070 129.078978601 "Pipecolic acid" C6H11NO2 HXEACLLIILLPRG-UHFFFAOYSA-N +HMDB0000071 252.085854882 Deoxyinosine C10H12N4O4 VGONTNSXDCQUGY-RRKCRQDMSA-N +HMDB0000073 153.078978601 Dopamine C8H11NO2 VYFYYTLLBUKUHU-UHFFFAOYSA-N +HMDB0000076 114.042927446 Dihydrouracil C4H6N2O2 OIVLITBTBDPEFK-UHFFFAOYSA-N +HMDB0000085 267.096753929 Deoxyguanosine C10H13N5O4 YKBGVTZYEHREMT-KVQBGUIXSA-N +HMDB0000086 257.102823889 Glycerophosphocholine C8H20NO6P SUHOQUVVVLNYQR-QMMMGPOBSA-N +HMDB0000087 45.057849229 Dimethylamine C2H7N ROSDSFDQCJNGOL-UHFFFAOYSA-N +HMDB0000089 243.085520541 Cytidine C9H13N3O5 UHDGCWIWMRVCDJ-XVFCMESISA-N +HMDB0000092 103.063328537 Dimethylglycine C4H9NO2 FFDGPVCHZBVARC-UHFFFAOYSA-N +HMDB0000094 192.02700261 "Citric acid" C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N +HMDB0000095 323.051850951 "Cytidine monophosphate" C9H14N3O8P IERHLVCPSMICTF-XVFCMESISA-N +HMDB0000097 104.107539075 Choline C5H14NO OEYIOHPDSNJKLS-UHFFFAOYSA-N +HMDB0000098 150.05282343 D-Xylose C5H10O5 SRBFZHDQGSBBOR-IOVATXLUSA-N +HMDB0000099 222.067427636 L-Cystathionine C7H14N2O4S ILRYLPWNYFXEMH-WHFBIAKZSA-N +HMDB0000101 251.101839307 Deoxyadenosine C10H13N5O3 OLXZPDWKRNYJJZ-RRKCRQDMSA-N +HMDB0000107 182.07903818 Galactitol C6H14O6 FBPFZTCFMRRESA-GUCUJZIJSA-N +HMDB0000108 46.041864814 Ethanol C2H6O LFQSCWFLJHTTHZ-UHFFFAOYSA-N +HMDB0000112 103.063328537 "gamma-Aminobutyric acid" C4H9NO2 BTCSSZJGUNDROE-UHFFFAOYSA-N +HMDB0000114 215.055873697 Glycerylphosphorylethanolamine C5H14NO6P FRMZOWIQVCBEAC-UHFFFAOYSA-N +HMDB0000115 76.016043994 "Glycolic acid" C2H4O3 AEMRFAOFKBGASW-UHFFFAOYSA-N +HMDB0000118 182.057908808 "Homovanillic acid" C9H10O4 QRMZSPFSDQBLIX-UHFFFAOYSA-N +HMDB0000119 74.00039393 "Glyoxylic acid" C2H2O3 HHLFWLYXYJOTON-UHFFFAOYSA-N +HMDB0000121 441.139681375 "Folic acid" C19H19N7O6 OVBPIULPVIDEAO-LBPRGKRZSA-N +HMDB0000122 180.063388116 D-Glucose C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N +HMDB0000123 75.032028409 Glycine C2H5NO2 DHMQDGOQFOQNFH-UHFFFAOYSA-N +HMDB0000126 172.013674532 "Glycerol 3-phosphate" C3H9O6P AWUCVROLDVIAJX-GSVOUGTGSA-N +HMDB0000127 194.042652674 "D-Glucuronic acid" C6H10O7 AEMOLEFTQBMNLQ-WAXACMCWSA-N +HMDB0000128 117.053826483 "Guanidoacetic acid" C3H7N3O2 BPMFZUMJYQTVII-UHFFFAOYSA-N +HMDB0000130 168.042258744 "Homogentisic acid" C8H8O4 IGMNYECMUMZDDF-UHFFFAOYSA-N +HMDB0000131 92.047344122 Glycerol C3H8O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N +HMDB0000132 151.049409807 Guanine C5H5N5O UYTPUPDQBNUYGX-UHFFFAOYSA-N +HMDB0000133 283.091668551 Guanosine C10H13N5O5 NYHBQMYGNKIUIF-UUOKFMHZSA-N +HMDB0000134 116.010958616 "Fumaric acid" C4H4O4 VZCYOOQTPOCHFL-OWOJBTEDSA-N +HMDB0000138 465.309038113 "Glycocholic acid" C26H43NO6 RFDAIACWWDREDC-MZMBZMQMSA-N +HMDB0000139 106.02660868 "Glyceric acid" C3H6O4 RBNPOMFGQQGHHO-UWTATZPHSA-N +HMDB0000142 46.005479308 "Formic acid" CH2O2 BDAGIHXWWSANSR-UHFFFAOYSA-N +HMDB0000143 180.063388116 D-Galactose C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N +HMDB0000148 147.053157781 "L-Glutamic acid" C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N +HMDB0000149 61.052763851 Ethanolamine C2H7NO HZAXFHJVJLSVMW-UHFFFAOYSA-N +HMDB0000152 154.026608673 "Gentisic acid" C7H6O4 WXTMDXOMEHJXQO-UHFFFAOYSA-N +HMDB0000156 134.021523302 "L-Malic acid" C4H6O5 BJEPYKJPYRNKOW-REOHCLBHSA-N +HMDB0000157 136.03851077 Hypoxanthine C5H4N4O FDGQSTZJBFJUBT-UHFFFAOYSA-N +HMDB0000158 181.073893223 L-Tyrosine C9H11NO3 OUYCCCASQSFEME-QMMMGPOBSA-N +HMDB0000159 165.078978601 L-Phenylalanine C9H11NO2 COLNVLDHVKWLRT-QMMMGPOBSA-N +HMDB0000161 89.047678473 L-Alanine C3H7NO2 QNAYBMKLOCPYGJ-REOHCLBHSA-N +HMDB0000162 115.063328537 L-Proline C5H9NO2 ONIBWKKTOPOVIA-BYPYZUCNSA-N +HMDB0000163 342.116211546 D-Maltose C12H22O11 GUBGYTABKSRVRQ-DKBJLJRDSA-N +HMDB0000164 31.042199165 Methylamine CH5N BAVYZALUXZFZLV-UHFFFAOYSA-N +HMDB0000167 119.058243159 L-Threonine C4H9NO3 AYFVYJQAPQTCCC-GBXIJSLDSA-N +HMDB0000168 132.053492132 L-Asparagine C4H8N2O3 DCXYFEDJOCDNAF-REOHCLBHSA-N +HMDB0000169 180.063388116 D-Mannose C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N +HMDB0000172 131.094628665 L-Isoleucine C6H13NO2 AGPKZVBTJJNPAG-WHFBIAKZSA-N +HMDB0000174 164.068473494 L-Fucose C6H12O5 SHZGCJCMOBCMKK-DHVFOXMCSA-N +HMDB0000175 348.047099924 "Inosinic acid" C10H13N4O8P GRSZFWQUAKGDAV-KQYNXXCUSA-N +HMDB0000176 116.010958616 "Maleic acid" C4H4O4 VZCYOOQTPOCHFL-UPHRSURJSA-N +HMDB0000177 155.069476547 L-Histidine C6H9N3O2 HNDVDQJCIGZPNO-YFKPBYRVSA-N +HMDB0000182 146.105527702 L-Lysine C6H14N2O2 KDXKERNSBIXSRK-YFKPBYRVSA-N +HMDB0000186 342.116211546 Alpha-Lactose C12H22O11 GUBGYTABKSRVRQ-XLOQQCSPSA-N +HMDB0000187 105.042593095 L-Serine C3H7NO3 MTCFGRXMJLQNBG-REOHCLBHSA-N +HMDB0000190 90.031694058 "L-Lactic acid" C3H6O3 JVTAAEKCZFNVCJ-REOHCLBHSA-N +HMDB0000191 133.037507717 "L-Aspartic acid" C4H7NO4 CKLJMWTZIZZHCS-REOHCLBHSA-N +HMDB0000192 240.023848262 L-Cystine C6H12N2O4S2 LEVWYRKDKASIDU-IMJSIDKUSA-N +HMDB0000194 240.122240398 Anserine C10H16N4O3 MYYIAHXIVFADCU-QMMMGPOBSA-N +HMDB0000195 268.080769514 Inosine C10H12N4O5 UGQMRVRMYYASKQ-KQYNXXCUSA-N +HMDB0000197 175.063328537 "Indoleacetic acid" C10H9NO2 SEOVTRFCIGRIMH-UHFFFAOYSA-N +HMDB0000201 203.115758031 L-Acetylcarnitine C9H17NO4 RDHQFKQIGNGIED-MRVPVSSYSA-N +HMDB0000202 118.02660868 "Methylmalonic acid" C4H6O4 ZIYVHBGGAOATLY-UHFFFAOYSA-N +HMDB0000205 164.047344122 "Phenylpyruvic acid" C9H8O3 BTNMPGBKDVTSJY-UHFFFAOYSA-N +HMDB0000206 188.116092388 N6-Acetyl-L-lysine C8H16N2O3 DTERQYGMUDWYAZ-ZETCQYMHSA-N +HMDB0000207 282.255880332 "Oleic acid" C18H34O2 ZQPPMHVWECSIRJ-KTKRTIGZSA-N +HMDB0000208 146.021523302 "Oxoglutaric acid" C5H6O5 KPGXRSRHYNQIFN-UHFFFAOYSA-N +HMDB0000209 136.0524295 "Phenylacetic acid" C8H8O2 WLJVXDMOQOGPHL-UHFFFAOYSA-N +HMDB0000210 219.110672659 "Pantothenic acid" C9H17NO5 GHOKWGTUZJEAQD-ZETCQYMHSA-N +HMDB0000211 180.063388116 myo-Inositol C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N +HMDB0000212 221.089937217 N-Acetylgalactosamine C8H15NO6 OVRNDRQMDRJTHS-CBQIKETKSA-N +HMDB0000213 260.029718526 "Myo-inositol 1-phosphate" C6H13O9P INAPMGSXUVUWAF-PTQMNWPWSA-N +HMDB0000214 132.089877638 Ornithine C5H12N2O2 AHLPHDHHMVZTML-BYPYZUCNSA-N +HMDB0000215 221.089937217 N-Acetyl-D-glucosamine C8H15NO6 OVRNDRQMDRJTHS-RTRLPJTCSA-N +HMDB0000220 256.240230268 "Palmitic acid" C16H32O2 IPCSVZSSVZVIGE-UHFFFAOYSA-N +HMDB0000222 399.334858933 L-Palmitoylcarnitine C23H45NO4 XOMRRQXKHMYMOC-OAQYLSRUSA-N +HMDB0000224 141.019094261 O-Phosphoethanolamine C2H8NO4P SUHOOTKUPISOBE-UHFFFAOYSA-N +HMDB0000226 156.017106626 "Orotic acid" C5H4N2O4 PXQPEWDEAKTCGB-UHFFFAOYSA-N +HMDB0000227 148.073558872 "Mevalonic acid" C6H12O4 KJTLQQUUPVSXIM-UHFFFAOYSA-N +HMDB0000228 94.041864814 Phenol C6H6O ISWSIDIOOBJBQZ-UHFFFAOYSA-N +HMDB0000230 309.105981211 "N-Acetylneuraminic acid" C11H19NO9 SQVRNKJHWKZAKO-PFQGKNLYSA-N +HMDB0000235 265.112306876 Thiamine C12H17N4OS JZRWCGZRTZMZEH-UHFFFAOYSA-N +HMDB0000237 74.036779436 "Propionic acid" C3H6O2 XBDQKXXYIPTUBI-UHFFFAOYSA-N +HMDB0000239 169.073893223 Pyridoxine C8H11NO3 LXNHXLLTXMVWPM-UHFFFAOYSA-N +HMDB0000243 88.016043994 "Pyruvic acid" C3H4O3 LCTONWCANYUPML-UHFFFAOYSA-N +HMDB0000244 376.138284392 Riboflavin C17H20N4O6 AUNGANRZJHBGPY-SCRDCRAPSA-N +HMDB0000246 72.057514878 Tetrahydrofuran C4H8O WYURNTSHIVDZCO-UHFFFAOYSA-N +HMDB0000247 182.07903818 Sorbitol C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N +HMDB0000251 125.014663785 Taurine C2H7NO3S XOAAWQZATWQOTB-UHFFFAOYSA-N +HMDB0000252 299.282429433 Sphingosine C18H37NO2 WWUZIQQURGPMPG-CCEZHUSRSA-N +HMDB0000254 118.02660868 "Succinic acid" C4H6O4 KDYFGRWQOYBRFD-UHFFFAOYSA-N +HMDB0000256 410.3912516 Squalene C30H50 YYGNTYWPHWGJRM-FLHYQJCXSA-N +HMDB0000258 342.116211546 Sucrose C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N +HMDB0000259 176.094963016 Serotonin C10H12N2O QZAYGJVTTNCVMB-UHFFFAOYSA-N +HMDB0000262 126.042927446 Thymine C5H6N2O2 RWQNBRDOKXIBIV-UHFFFAOYSA-N +HMDB0000267 129.042593095 "Pyroglutamic acid" C5H7NO3 ODHCTXKNWHHXJC-VKHMYHEASA-N +HMDB0000269 301.298079497 Sphinganine C18H39NO2 OTKJDMGTUTTYMP-ZWKOTPCHSA-N +HMDB0000271 89.047678473 Sarcosine C3H7NO2 FSYKKLYZXJSNPZ-UHFFFAOYSA-N +HMDB0000273 242.090271568 Thymidine C10H14N2O5 IQFYYKKMVGJFEH-XLPZGREQSA-N +HMDB0000279 276.132136382 Saccharopine C11H20N2O6 ZDGJAHTZVHVLOT-YUMQZZPRSA-N +HMDB0000283 150.05282343 D-Ribose C5H10O5 HMFHBZSHGGEWLO-SOOFDHNKSA-N +HMDB0000286 566.055020376 "Uridine diphosphate glucose" C15H24N2O17P2 HSCJRCZFDFQWRP-LPTOLDDLSA-N +HMDB0000288 324.035866536 "Uridine 5'-monophosphate" C9H13N2O9P DJJCXFVJDGTHFX-XVFCMESISA-N +HMDB0000289 168.028340014 "Uric acid" C5H4N4O3 LEHOTFFKMJEONL-UHFFFAOYSA-N +HMDB0000291 198.05282343 "Vanillylmandelic acid" C9H10O5 CGQCWMIAEPEHNQ-QMMMGPOBSA-N +HMDB0000292 152.033425392 Xanthine C5H4N4O2 LRFVTYWOQMYALW-UHFFFAOYSA-N +HMDB0000294 60.03236276 Urea CH4N2O XSQUKJJJFZCRTK-UHFFFAOYSA-N +HMDB0000296 244.069536126 Uridine C9H12N2O6 DRTQHJPVMGBUCF-XVFCMESISA-N +HMDB0000299 284.075684136 Xanthosine C10H12N4O6 UBORTCNDUKBEOP-UUOKFMHZSA-N +HMDB0000300 112.027277382 Uracil C4H4N2O2 ISAKRJDGNUQOIC-UHFFFAOYSA-N +HMDB0000301 138.042927446 "Urocanic acid" C6H6N2O2 LOIYMIARKYCTBW-OWOJBTEDSA-N +HMDB0000303 160.100048394 Tryptamine C10H12N2 APJYDQYYACXCRM-UHFFFAOYSA-N +HMDB0000305 286.229665582 "Vitamin A" C20H30O FPIPGXGPPPQFEQ-OVSJKPMPSA-N +HMDB0000306 137.084063979 Tyramine C8H11NO DZGWFCGJZKJUFP-UHFFFAOYSA-N +HMDB0000308 374.282095082 "3b-Hydroxy-5-cholenoic acid" C24H38O3 HIAJCGFYHIANNA-QIZZZRFXSA-N +HMDB0000317 132.07864425 "2-Hydroxy-3-methylpentanoic acid" C6H12O3 RILPIWOPNGRASR-RFZPGFLSSA-N +HMDB0000321 162.05282343 "2-Hydroxyadipic acid" C6H10O5 OTTXIFWBPRRYOG-UHFFFAOYSA-N +HMDB0000325 190.084123558 "3-Hydroxysuberic acid" C8H14O5 ARJZZFJXSNJKGR-UHFFFAOYSA-N +HMDB0000332 376.188588628 18-Oxocortisol C21H28O6 XUQWWIFROYJHCU-FJNAKSJRSA-N +HMDB0000337 120.042258744 "(S)-3,4-Dihydroxybutyric acid" C4H8O4 DZAIOXUZHHTJKN-UHFFFAOYSA-N +HMDB0000350 218.115423686 "3-Hydroxysebacic acid" C10H18O5 OQYZCCKCJQWHIE-UHFFFAOYSA-N +HMDB0000355 162.05282343 "3-Hydroxymethylglutaric acid" C6H10O5 NPOAOTPXWNWTSH-UHFFFAOYSA-N +HMDB0000357 104.047344122 "3-Hydroxybutyric acid" C4H8O3 WHBMMWSBFZVSSR-UHFFFAOYSA-N +HMDB0000359 434.339609961 "3alpha,7alpha-Dihydroxycoprostanic acid" C27H46O4 ITZYGDKGRKKBSN-HKFUITGCSA-N +HMDB0000365 290.224580204 Epiandrosterone C19H30O2 QGXBDMJGAMFCBF-QRIARFFBSA-N +HMDB0000375 166.062994186 "3-(3-Hydroxyphenyl)propanoic acid" C9H10O3 QVWAEZJXDYOKEH-UHFFFAOYSA-N +HMDB0000379 206.042652674 "2-Methylcitric acid" C7H10O7 YNOXCRMFGMSKIJ-UHFFFAOYSA-N +HMDB0000387 216.172544634 "3-Hydroxydodecanoic acid" C12H24O3 MUCMKTPAZLSKTL-UHFFFAOYSA-N +HMDB0000391 406.271924326 "7-Ketodeoxycholic acid" C24H38O5 RHCPKKNRWFXMAT-RRWYKFPJSA-N +HMDB0000396 118.062994186 "2-Ethylhydracrylic acid" C5H10O3 ZMZQVAUJTDKQGE-UHFFFAOYSA-N +HMDB0000400 406.271924326 "3,7-Dihydroxy-12-oxocholanoic acid" C24H38O5 MIHNUBCEFJLAGN-DMMBONCOSA-N +HMDB0000402 176.068473494 "2-Isopropylmalic acid" C7H12O5 BITYXLXUCSKTJS-ZETCQYMHSA-N +HMDB0000407 118.062994186 "2-Hydroxy-3-methylbutyric acid" C5H10O3 NGEWQZIDQIYUNV-UHFFFAOYSA-N +HMDB0000415 408.28757439 "3a,6b,7b-Trihydroxy-5b-cholanoic acid" C24H40O5 DKPMWHFRUGMUKF-CRKPLTDNSA-N +HMDB0000416 412.191959446 "17-Hydroxypregnenolone sulfate" C21H32O6S OMOKWYAQVYBHMG-QUPIPBJSSA-N +HMDB0000417 312.302830524 "3D,7D,11D-Phytanic acid" C20H40O2 RLCKHJSFHOZMDR-GUDVDZBRSA-N +HMDB0000418 378.204238692 18-Hydroxycortisol C21H30O6 HESFZGWRDUVOMS-FJNAKSJRSA-N +HMDB0000422 146.057908808 "2-Methylglutaric acid" C6H10O4 AQYCMVICBNBXNA-UHFFFAOYSA-N +HMDB0000423 182.057908808 "3,4-Dihydroxyhydrocinnamic acid" C9H10O4 DZAUWHJDUNRCTF-UHFFFAOYSA-N +HMDB0000426 148.037173366 "Citramalic acid" C5H8O5 XFTRTWQBIOMVPK-UHFFFAOYSA-N +HMDB0000434 196.073558872 "Homoveratric acid" C10H12O4 WUAXWQRULBZETB-UHFFFAOYSA-N +HMDB0000439 169.037507717 2-Furoylglycine C7H7NO4 KSPQDMRTZZYQLM-UHFFFAOYSA-N +HMDB0000440 152.047344122 "3-Hydroxyphenylacetic acid" C8H8O3 FVMDYYGIDFPZAX-UHFFFAOYSA-N +HMDB0000446 188.116092388 N-Alpha-acetyllysine C8H16N2O3 VEYYWZRYIYDQJM-UHFFFAOYSA-N +HMDB0000448 146.057908808 "Adipic acid" C6H10O4 WNLRTRBMVRJNCN-UHFFFAOYSA-N +HMDB0000450 162.100442324 5-Hydroxylysine C6H14N2O3 YSMODUONRAFBET-UHNVWZDZSA-N +HMDB0000451 158.094294314 "cis-4-Hydroxycyclohexylacetic acid" C8H14O3 ALTAAUJNHYWOGS-UHFFFAOYSA-N +HMDB0000452 103.063328537 "L-alpha-Aminobutyric acid" C4H9NO2 QWCKQJZIFLGMSD-VKHMYHEASA-N +HMDB0000453 114.068079564 Delta-Hexanolactone C6H10O2 RZTOWFMDBDPERY-UHFFFAOYSA-N +HMDB0000462 158.043990078 Allantoin C4H6N4O3 POJWUDADGALRAB-UHFFFAOYSA-N +HMDB0000466 131.073499293 3-Methylindole C9H9N ZFRKQXVRDFCRJG-UHFFFAOYSA-N +HMDB0000467 390.277009704 "Nutriacholic acid" C24H38O4 DXOCDBGWDZAYRQ-QPVZPPSOSA-N +HMDB0000472 220.08479226 5-Hydroxy-L-tryptophan C11H12N2O3 LDCYZAJDBXYCGN-VIFPVBQESA-N +HMDB0000474 72.057514878 Butanone C4H8O ZWEHNKRNPOVVGH-UHFFFAOYSA-N +HMDB0000477 252.20893014 "7Z,10Z-Hexadecadienoic acid" C16H28O2 WPJGPAAPSBVXNU-HZJYTTRNSA-N +HMDB0000479 169.085126611 3-Methylhistidine C7H11N3O2 JDHILDINMRGULE-LURJTMIESA-N +HMDB0000482 144.115029756 "Caprylic acid" C8H16O2 WWZKQHOCKIZLMA-UHFFFAOYSA-N +HMDB0000483 452.350174646 5b-Cholestane-3a,7a,12a,23S,25-pentol C27H48O5 OXSBBBPDYVCAKC-CTSLUMRNSA-N +HMDB0000484 168.042258738 "Vanillic acid" C8H8O4 WKOLLVMJNQIZCI-UHFFFAOYSA-N +HMDB0000486 160.109944378 "7-Hydroxyoctanoic acid" C8H16O3 OFCMTSZRXXFMBQ-UHFFFAOYSA-N +HMDB0000489 335.132864663 Aspartylglycosamine C12H21N3O8 YTTRPBWEMMPYSW-HRRFRDKFSA-N +HMDB0000491 130.062994186 "3-Methyl-2-oxovaleric acid" C6H10O3 JVQYSWDUAOAHFM-UHFFFAOYSA-N +HMDB0000494 416.401816294 Stigmastanol C29H52O LGJMUZUPVCAVPU-KZXGMYDKSA-N +HMDB0000500 138.031694053 "4-Hydroxybenzoic acid" C7H6O3 FJKROLUGYXJWQN-UHFFFAOYSA-N +HMDB0000502 406.271924324 "3-Oxocholic acid" C24H38O5 OEKUSRBIIZNLHZ-DJDNIQJZSA-N +HMDB0000508 152.068473494 Ribitol C5H12O5 HEBKCHPVOIAQTA-ZXFHETKHSA-N +HMDB0000510 161.068807845 "Aminoadipic acid" C6H11NO4 OYIFNHCXNCRBQI-UHFFFAOYSA-N +HMDB0000511 172.146329884 "Capric acid" C10H20O2 GHVNFZFCNZKVNT-UHFFFAOYSA-N +HMDB0000512 207.089543287 N-Acetyl-L-phenylalanine C11H13NO3 CBQJSKKFNMDLON-JTQLQIEISA-N +HMDB0000516 180.063388116 Beta-D-Glucose C6H12O6 WQZGKKKJIJFFOK-VFUOTHLCSA-N +HMDB0000517 174.111675712 L-Arginine C6H14N4O2 ODKSFYDXXFIFQN-BYPYZUCNSA-N +HMDB0000518 392.292659768 "Chenodeoxycholic acid" C24H40O4 RUDATBOHQWOJDD-BSWAIDMHSA-N +HMDB0000520 436.355260024 5a-Cholestane-3a,7a,12a,25-tetrol C27H48O4 NTIXPPFPXLYJCT-SUGKMTRFSA-N +HMDB0000522 144.042258744 "3-Methylglutaconic acid" C6H8O4 WKRBKYFIJPGYQC-DUXPYHPUSA-N +HMDB0000525 132.07864425 "5-Hydroxyhexanoic acid" C6H12O3 YDCRNMJQROAWFT-UHFFFAOYSA-N +HMDB0000528 158.03275669 "4,5-Dihydroorotic acid" C5H6N2O4 UFIVEPVSAGBUSI-UHFFFAOYSA-N +HMDB0000529 198.161979948 "5Z-Dodecenoic acid" C12H22O2 IJBFSOLHRKELLR-FPLPWBNLSA-N +HMDB0000531 118.062994186 "3-Hydroxyvaleric acid" C5H10O3 REKYPYSUBKSCAT-UHFFFAOYSA-N +HMDB0000532 117.042593095 Acetylglycine C4H7NO3 OKJIRPAQVSHGFK-UHFFFAOYSA-N +HMDB0000535 116.083729628 "Caproic acid" C6H12O2 FUZZWVXGSFPDMH-UHFFFAOYSA-N +HMDB0000539 166.047738052 "Arabinonic acid" C5H10O6 QXKAIJAYHKCRRA-JJYYJPOSSA-N +HMDB0000549 86.036779436 Gamma-Butyrolactone C4H6O2 YEJRWHAVMIAJKC-UHFFFAOYSA-N +HMDB0000552 289.152537473 3-Methylglutarylcarnitine C13H23NO6 HFCPFJNSBPQJDP-UHFFFAOYSA-N +HMDB0000553 312.302830524 "3L,7D,11D-Phytanic acid" C20H40O2 RLCKHJSFHOZMDR-QRVBRYPASA-N +HMDB0000555 160.073558872 "3-Methyladipic acid" C7H12O4 SYEOWUNSTUDKGM-YFKPBYRVSA-N +HMDB0000557 131.094628665 L-Alloisoleucine C6H13NO2 AGPKZVBTJJNPAG-UHNVWZDZSA-N +HMDB0000562 113.058911861 Creatinine C4H7N3O DDRJAANPRJIHGJ-UHFFFAOYSA-N +HMDB0000563 166.062994186 "D-Phenyllactic acid" C9H10O3 VOXXWSYKYCBWHO-QMMMGPOBSA-N +HMDB0000564 733.562155053 PC(16:0/16:0) C40H80NO8P KILNVBDSWZSGLL-KXQOOQHDSA-N +HMDB0000565 196.058302738 "Galactonic acid" C6H12O7 RGHNJXZEOKUKBD-MGCNEYSASA-N +HMDB0000567 148.0524295 "Cinnamic acid" C9H8O2 WBYWAXJHAXSJNI-SREVYHEPSA-N +HMDB0000568 152.068473494 D-Arabitol C5H12O5 HEBKCHPVOIAQTA-QWWZWVQMSA-N +HMDB0000573 282.255880332 "Elaidic acid" C18H34O2 ZQPPMHVWECSIRJ-MDZDMXLPSA-N +HMDB0000574 121.019749163 L-Cysteine C3H7NO2S XUJNEKJLAYXESH-REOHCLBHSA-N +HMDB0000577 388.370516158 5beta-Coprostanol C27H48O QYIXCDOBOSTCEI-NWKZBHTNSA-N +HMDB0000593 785.593455181 "PC(18:1(9Z)/18:1(9Z)) " C44H84NO8P SNKAWJBJQDLSFF-YEUCEMRASA-N +HMDB0000594 294.121571696 gamma-Glutamylphenylalanine C14H18N2O5 XHHOHZPNYFQJKL-QWRGUYRKSA-N +HMDB0000606 148.037173366 "D-2-Hydroxyglutaric acid" C5H8O5 HWXBTNAVRSUOJR-GSVOUGTGSA-N +HMDB0000610 648.584531687 CE(18:2(9Z,12Z)) C45H76O2 NAACPBBQTFFYQB-XHDSEGDBSA-N +HMDB0000613 136.037173366 "Erythronic acid" C4H8O5 JPIJQSOTBSSVTP-PWNYCUMCSA-N +HMDB0000617 112.016043994 "2-Furoic acid" C5H4O3 SMNDYUVBFMFKNZ-UHFFFAOYSA-N +HMDB0000619 408.28757439 "Cholic acid" C24H40O5 BHQCQFFYRZLCQQ-OELDTZBJSA-N +HMDB0000621 150.05282343 D-Ribulose C5H10O5 ZAQJHHRNXZUBTE-NQXXGFSBSA-N +HMDB0000622 132.042258744 "Ethylmalonic acid" C5H8O4 UKFXDFUAPNAMPJ-UHFFFAOYSA-N +HMDB0000623 230.151809192 "Dodecanedioic acid" C12H22O4 TVIDDXQYHWJXFK-UHFFFAOYSA-N +HMDB0000625 196.058302738 "Gluconic acid" C6H12O7 RGHNJXZEOKUKBD-SQOUGZDYSA-N +HMDB0000626 392.292659768 "Deoxycholic acid" C24H40O4 KXGVEGMKQFWNSR-LLQZFEROSA-N +HMDB0000630 111.043261797 Cytosine C4H5N3O OPTASPLRGRRNAP-UHFFFAOYSA-N +HMDB0000631 449.314123491 "Deoxycholic acid glycine conjugate" C26H43NO5 WVULKSPCQVQLCU-ZMBDPXIHSA-N +HMDB0000634 130.02660868 "Citraconic acid" C5H6O4 HNEGQIOMVPPMNR-IHWYPQMZSA-N +HMDB0000637 449.314123491 "Chenodeoxycholic acid glycine conjugate" C26H43NO5 GHCZAUBVMUEKKP-AHBZRTSYSA-N +HMDB0000638 200.177630012 "Dodecanoic acid" C12H24O2 POULHZVOKOAJMA-UHFFFAOYSA-N +HMDB0000640 162.05282343 Levoglucosan C6H10O5 TWNIBLMWSKIRAT-VFUOTHLCSA-N +HMDB0000641 146.069142196 L-Glutamine C5H10N2O3 ZDXPYRJPNDTMRX-VKHMYHEASA-N +HMDB0000646 150.05282343 L-Arabinose C5H10O5 SRBFZHDQGSBBOR-HWQSCIPKSA-N +HMDB0000650 103.063328537 "D-alpha-Aminobutyric acid" C4H9NO2 QWCKQJZIFLGMSD-GSVOUGTGSA-N +HMDB0000651 315.240958549 Decanoylcarnitine C17H33NO4 LZOSYCMHQXPBFU-UHFFFAOYSA-N +HMDB0000660 180.063388116 D-Fructose C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N +HMDB0000661 132.042258744 "Glutaric acid" C5H8O4 JFCQEDHGNNZCLN-UHFFFAOYSA-N +HMDB0000663 210.037567296 "Glucaric acid" C6H10O8 DSLZVSRJTYRBFB-LLEIAEIESA-N +HMDB0000665 132.07864425 "Leucinic acid" C6H12O3 LVRFTAZAXQPQHI-UHFFFAOYSA-N +HMDB0000666 130.099379692 "Heptanoic acid" C7H14O2 MNWFXJYAOYHMED-UHFFFAOYSA-N +HMDB0000669 152.047344122 "Ortho-Hydroxyphenylacetic acid" C8H8O3 CCVYRRGZDBSHFU-UHFFFAOYSA-N +HMDB0000670 188.127325776 Homo-L-arginine C7H16N4O2 QUOGESRFPZDMMT-YFKPBYRVSA-N +HMDB0000671 205.073893223 "Indolelactic acid" C11H11NO3 XGILAAMKEQUXLS-UHFFFAOYSA-N +HMDB0000672 286.214409448 "Hexadecanedioic acid" C16H30O4 QQHJDPROMQRDLA-UHFFFAOYSA-N +HMDB0000673 280.240230268 "Linoleic acid" C18H32O2 OYHQOLUKZRVURQ-HZJYTTRNSA-N +HMDB0000678 159.089543287 Isovalerylglycine C7H13NO3 ZRQXMKMBBMNNQC-UHFFFAOYSA-N +HMDB0000679 189.111341361 Homocitrulline C7H15N3O3 XIGSAGMEBXLVJJ-YFKPBYRVSA-N +HMDB0000682 213.009578407 "Indoxyl sulfate" C8H7NO4S BXFFHSIDQOFMLE-UHFFFAOYSA-N +HMDB0000684 208.08479226 L-Kynurenine C10H12N2O3 YGPSJZOEDVAXAB-QMMMGPOBSA-N +HMDB0000687 131.094628665 L-Leucine C6H13NO2 ROHFNLRQFUQHCH-YFKPBYRVSA-N +HMDB0000689 116.083729628 "Isocaproic acid" C6H12O2 FGKJLKRYENPLQH-UHFFFAOYSA-N +HMDB0000691 104.010958616 "Malonic acid" C3H4O4 OFOBLEOULBTSOW-UHFFFAOYSA-N +HMDB0000694 148.037173366 "L-2-Hydroxyglutaric acid" C5H8O5 HWXBTNAVRSUOJR-VKHMYHEASA-N +HMDB0000695 130.062994186 Ketoleucine C6H10O3 BKAJNAXTPSGJCU-UHFFFAOYSA-N +HMDB0000696 149.051049291 L-Methionine C5H11NO2S FFEARJCKVFRZRR-BYPYZUCNSA-N +HMDB0000698 433.319208869 "Lithocholic acid glycine conjugate" C26H43NO4 XBSQTYHEGZTYJE-OETIFKLTSA-N +HMDB0000699 137.07148792 1-Methylnicotinamide C7H9N2O LDHMAVIPBRSVRG-UHFFFAOYSA-O +HMDB0000700 90.031694058 "Hydroxypropionic acid" C3H6O3 ALRHLSYJTWAHJZ-UHFFFAOYSA-N +HMDB0000701 173.105193351 Hexanoylglycine C8H15NO3 UPCKIPHSXMXJOX-UHFFFAOYSA-N +HMDB0000703 152.047344122 "Mandelic acid" C8H8O3 IWYDHOAUDWTVEP-ZETCQYMHSA-N +HMDB0000705 259.178358293 Hexanoylcarnitine C13H25NO4 VVPRQWTYSNDTEA-UHFFFAOYSA-N +HMDB0000706 280.105921632 Aspartylphenylalanine C13H16N2O5 YZQCXOFQZKCETR-UWVGGRQHSA-N +HMDB0000707 180.042258744 "4-Hydroxyphenylpyruvic acid" C9H8O4 KKADPXVIOXHVKN-UHFFFAOYSA-N +HMDB0000708 449.314123491 "Glycoursodeoxycholic acid" C26H43NO5 GHCZAUBVMUEKKP-XROMFQGDSA-N +HMDB0000710 104.047344122 "4-Hydroxybutyric acid" C4H8O3 SJZRECIVHVDYJC-UHFFFAOYSA-N +HMDB0000711 160.109944378 "Hydroxyoctanoic acid" C8H16O3 JKRDADVRIYVCCY-UHFFFAOYSA-N +HMDB0000712 429.309038113 "Hexadecanedioic acid mono-L-carnitine ester" C23H43NO6 UNHCPLSWMNPZTD-UHFFFAOYSA-N +HMDB0000714 179.058243159 "Hippuric acid" C9H9NO3 QIAFMBKCNZACKA-UHFFFAOYSA-N +HMDB0000715 189.042593095 "Kynurenic acid" C10H7NO3 HCZHHEIFKROPDY-UHFFFAOYSA-N +HMDB0000716 129.078978601 "L-Pipecolic acid" C6H11NO2 HXEACLLIILLPRG-YFKPBYRVSA-N +HMDB0000717 376.297745146 "Isolithocholic acid" C24H40O3 SMEROWZSTRWXGI-WFVDQZAMSA-N +HMDB0000718 102.068079564 "Isovaleric acid" C5H10O2 GWYFCOCPABKNJV-UHFFFAOYSA-N +HMDB0000719 119.058243159 L-Homoserine C4H9NO3 UKAUYVFTDYCKQA-VKHMYHEASA-N +HMDB0000720 116.047344122 "Levulinic acid" C5H8O3 JOOXCMJARBKPKM-UHFFFAOYSA-N +HMDB0000721 172.08479226 Glycylproline C7H12N2O3 KZNQNBZMBZJQJO-UHFFFAOYSA-N +HMDB0000722 483.301844245 Lithocholyltaurine C26H45NO5S QBYUNVOYXHFVKC-LVMSMGIASA-N +HMDB0000725 131.058243159 4-Hydroxyproline C5H9NO3 PMMYEEVYMWASQN-DMTCNVIQSA-N +HMDB0000729 104.047344122 "Alpha-Hydroxyisobutyric acid" C4H8O3 BWLBGMIXKSTLSX-UHFFFAOYSA-N +HMDB0000730 145.073893223 Isobutyrylglycine C6H11NO3 DCICDMMXFIELDF-UHFFFAOYSA-N +HMDB0000731 200.976563719 Cysteine-S-sulfate C3H7NO5S2 NOKPBJYHPHHWAN-REOHCLBHSA-N +HMDB0000734 187.063328537 "Indoleacrylic acid" C11H9NO2 SXOUIMVOMIGLHO-AATRIKPKSA-N +HMDB0000738 117.057849229 Indole C8H7N SIKJAQJRHWYJAI-UHFFFAOYSA-N +HMDB0000742 135.035399227 Homocysteine C4H9NO2S FFFHZYDWPBMWHY-UHFFFAOYSA-N +HMDB0000744 134.021523302 "Malic acid" C4H6O5 BJEPYKJPYRNKOW-UHFFFAOYSA-N +HMDB0000746 132.07864425 "Hydroxyisocaproic acid" C6H12O3 LVRFTAZAXQPQHI-YFKPBYRVSA-N +HMDB0000748 166.062994186 "L-3-Phenyllactic acid" C9H10O3 VOXXWSYKYCBWHO-MRVPVSSYSA-N +HMDB0000750 168.042258744 "3-Hydroxymandelic acid" C8H8O4 OLSDAJRAVOVKLG-UHFFFAOYSA-N +HMDB0000752 146.057908808 "Methylglutaric acid" C6H10O4 XJMMNTGIMDZPMU-UHFFFAOYSA-N +HMDB0000753 100.088815006 3-Hexanone C6H12O PFCHFHIRKBAQGU-UHFFFAOYSA-N +HMDB0000754 118.062994186 "3-Hydroxyisovaleric acid" C5H10O3 AXFYFNCPONWUHW-UHFFFAOYSA-N +HMDB0000755 182.057908808 "Hydroxyphenyllactic acid" C9H10O4 JVGVDSSUAVXRDY-UHFFFAOYSA-N +HMDB0000759 188.116092388 Glycylleucine C8H16N2O3 DKEXFJVMVGETOO-LURJTMIESA-N +HMDB0000760 408.28757439 "Hyocholic acid" C24H40O5 DKPMWHFRUGMUKF-NNFRHCBVSA-N +HMDB0000761 376.297745146 "Lithocholic acid" C24H40O3 SMEROWZSTRWXGI-HVATVPOCSA-N +HMDB0000763 191.058243159 "5-Hydroxyindoleacetic acid" C10H9NO3 DUUGKQCEGZLZNO-UHFFFAOYSA-N +HMDB0000764 150.068079564 "Hydrocinnamic acid" C9H10O2 XMIIGOLPHOKFCH-UHFFFAOYSA-N +HMDB0000765 182.07903818 Mannitol C6H14O6 FBPFZTCFMRRESA-KVTDHHQDSA-N +HMDB0000766 131.058243159 N-Acetyl-L-alanine C5H9NO3 KTHDTJVBEPMMGL-VKHMYHEASA-N +HMDB0000767 244.069536126 Pseudouridine C9H12N2O6 PTJWIQPHWPFNBW-GBNDHIKLSA-N +HMDB0000772 298.28718046 "Nonadecanoic acid" C19H38O2 ISYWECDDZWTKFF-UHFFFAOYSA-N +HMDB0000774 396.197044824 "Pregnenolone sulfate" C21H32O5S DIJBBUIOWGGQOP-OZIWPBGVSA-N +HMDB0000779 166.062994186 "Phenyllactic acid" C9H10O3 VOXXWSYKYCBWHO-UHFFFAOYSA-N +HMDB0000782 314.245709576 "Octadecanedioic acid" C18H34O4 BNJOQKFENDDGSC-UHFFFAOYSA-N +HMDB0000783 131.058243159 Propionylglycine C5H9NO3 WOMAZEJKVZLLFE-UHFFFAOYSA-N +HMDB0000784 188.104859 "Azelaic acid" C9H16O4 BDJRBEYXGGNYIS-UHFFFAOYSA-N +HMDB0000791 287.209658421 L-Octanoylcarnitine C15H29NO4 CXTATJFJDMJMIY-CYBMUJFWSA-N +HMDB0000792 202.120509064 "Sebacic acid" C10H18O4 CXMXRPHRNRROMY-UHFFFAOYSA-N +HMDB0000798 158.13067982 "Oenanthic ether" C9H18O2 TVQGDYNRXLTQAP-UHFFFAOYSA-N +HMDB0000801 312.302830524 "Phytanic acid" C20H40O2 RLCKHJSFHOZMDR-UHFFFAOYSA-N +HMDB0000802 163.049409807 Pterin C6H5N5O HNXQXTQTPAJEJL-UHFFFAOYSA-N +HMDB0000803 221.089937217 beta-N-Acetylglucosamine C8H15NO6 OVRNDRQMDRJTHS-FMDGEEDCSA-N +HMDB0000806 228.20893014 "Myristic acid" C14H28O2 TUNFSRHWOTWDNC-UHFFFAOYSA-N +HMDB0000808 145.073893223 N-Butyrylglycine C6H11NO3 WPSSBBPLVMTKRN-UHFFFAOYSA-N +HMDB0000812 175.048072403 "N-Acetyl-L-aspartic acid" C6H9NO5 OTCCIMWXFLJLIA-BYPYZUCNSA-N +HMDB0000819 183.089543287 Normetanephrine C9H13NO3 YNYAYWLBAHXHLL-UHFFFAOYSA-N +HMDB0000820 60.057514878 "Propyl alcohol" C3H8O BDERNNFJNOPAEC-UHFFFAOYSA-N +HMDB0000822 168.042258744 "p-Hydroxymandelic acid" C8H8O4 YHXHKYRQLYQUIH-UHFFFAOYSA-N +HMDB0000824 217.131408101 Propionylcarnitine C10H19NO4 UFAHZIUFPNSHSL-UHFFFAOYSA-N +HMDB0000826 242.224580204 "Pentadecanoic acid" C15H30O2 WQEPLUUGTLDZJY-UHFFFAOYSA-N +HMDB0000827 284.271530396 "Stearic acid" C18H36O2 QIQXTHQIDYTFRH-UHFFFAOYSA-N +HMDB0000828 176.043321376 "Ureidosuccinic acid" C5H8N2O5 HLKXYZVTANABHZ-REOHCLBHSA-N +HMDB0000840 195.053157781 "Salicyluric acid" C9H9NO4 ONJSZLXSECQROL-UHFFFAOYSA-N +HMDB0000845 253.081103865 Neopterin C9H11N5O4 BMQYVXCPAOLZOK-UHFFFAOYSA-N +HMDB0000847 158.13067982 "Pelargonic acid" C9H18O2 FBUKVWPVBMHYJY-UHFFFAOYSA-N +HMDB0000848 427.366159062 Stearoylcarnitine C25H49NO4 FNPHNLNTJNMAEE-HSZRJFAPSA-N +HMDB0000849 164.068473494 Rhamnose C6H12O5 SHZGCJCMOBCMKK-JFNONXLTSA-N +HMDB0000852 414.38616623 beta-Sitosterol C29H50O KZJWDPNRJALLNS-VJSFXXLFSA-N +HMDB0000853 221.089937217 N-Acetyl-b-D-galactosamine C8H15NO6 OVRNDRQMDRJTHS-JAJWTYFOSA-N +HMDB0000854 174.064056818 "Formiminoglutamic acid" C6H10N2O4 NRXIKWMTVXPVEF-BYPYZUCNSA-N +HMDB0000855 255.0980966 "Nicotinamide riboside" C11H15N2O5 JLEBZPBDRKPWTD-TURQNECASA-O +HMDB0000856 217.106255983 N-a-Acetylcitrulline C8H15N3O4 WMQMIOYQXNRROC-UHFFFAOYSA-N +HMDB0000857 160.073558872 "Pimelic acid" C7H12O4 WLJVNTCWHIRURA-UHFFFAOYSA-N +HMDB0000863 60.057514878 "Isopropyl alcohol" C3H8O KFZMGEQAYNKOFK-UHFFFAOYSA-N +HMDB0000866 223.084457909 N-Acetyl-L-tyrosine C11H13NO4 CAHKINHBCWCHCF-JTQLQIEISA-N +HMDB0000867 166.047738052 "Ribonic acid" C5H10O6 QXKAIJAYHKCRRA-BXXZVTAOSA-N +HMDB0000870 111.079647303 Histamine C5H9N3 NTYJJOPFIAHURM-UHFFFAOYSA-N +HMDB0000872 258.18310932 "Tetradecanedioic acid" C14H26O4 HQHCYKULIHKCEB-UHFFFAOYSA-N +HMDB0000873 124.0524295 4-Methylcatechol C7H8O2 ZBCATMYQYDCTIZ-UHFFFAOYSA-N +HMDB0000874 499.296758867 "Tauroursodeoxycholic acid" C26H45NO6S BHTRKEVKTKCXOH-VSHSPWMTSA-N +HMDB0000875 137.047678473 Trigonelline C7H7NO2 WWNNZCOKKKDOPX-UHFFFAOYSA-N +HMDB0000878 396.33921603 Ergosterol C28H44O DNVPQKQSNYMLRS-KQYMERMZSA-N +HMDB0000879 334.250794954 Tetrahydrodeoxycorticosterone C21H34O3 CYKYBWRSLLXBOW-GDYGHMJCSA-N +HMDB0000881 205.037507717 "Xanthurenic acid" C10H7NO4 FBZONXHGGPHHIY-UHFFFAOYSA-N +HMDB0000883 117.078978601 L-Valine C5H11NO2 KZSNJWFQEVHDMF-BYPYZUCNSA-N +HMDB0000884 258.08518619 Ribothymidine C10H14N2O6 DWRXFEITVBNRMK-JXOAFFINSA-N +HMDB0000888 216.136159128 "Undecanedioic acid" C11H20O4 LWBHHRRTOZQPDM-UHFFFAOYSA-N +HMDB0000892 102.068079564 "Valeric acid" C5H10O2 NQPDZGIKBAWPEJ-UHFFFAOYSA-N +HMDB0000893 174.089208936 "Suberic acid" C8H14O4 TYFQFVWCELRYAO-UHFFFAOYSA-N +HMDB0000896 499.296758867 "Taurodeoxycholic acid" C26H45NO6S AWDRATDZQPNJFN-VAYUFCLWSA-N +HMDB0000897 165.065059871 7-Methylguanine C6H7N5O FZWGECJQACGGTI-UHFFFAOYSA-N +HMDB0000898 125.095297367 1-Methylhistamine C6H11N3 FHQDWPCFSJMNCT-UHFFFAOYSA-N +HMDB0000903 364.224974134 Tetrahydrocortisone C21H32O5 SYGWGHVTLUBCEM-SDYDLROXSA-N +HMDB0000904 175.095691297 Citrulline C6H13N3O3 RHGKLRLOHDJJDR-BYPYZUCNSA-N +HMDB0000905 331.068169717 "Deoxyadenosine monophosphate" C10H14N5O6P KHWCHTKSEGGWEX-RRKCRQDMSA-N +HMDB0000906 59.073499293 Trimethylamine C3H9N GETQZCLCWQTVFV-UHFFFAOYSA-N +HMDB0000907 456.254559702 "Sulfolithocholic acid" C24H40O6S AXDXVEYHEODSPN-YPLGJCPNSA-N +HMDB0000908 388.370516158 5alpha-Cholestanol C27H48O QYIXCDOBOSTCEI-QCYZZNICSA-N +HMDB0000909 158.094294314 "trans-4-Hydroxycyclohexylacetic acid" C8H14O3 ALTAAUJNHYWOGS-LJGSYFOKSA-N +HMDB0000910 214.193280076 "Tridecanoic acid" C13H26O2 SZHOJFHSIKHZHA-UHFFFAOYSA-N +HMDB0000918 650.600181752 CE(18:1(9Z)) C45H78O2 RJECHNNFRHZQKU-DVPYOPPASA-N +HMDB0000921 384.33921603 Cholestenone C27H44O NYOXRYYXRWJDKP-GYKMGIIDSA-N +HMDB0000925 75.068413915 "Trimethylamine N-oxide" C3H9NO UYPYRKYUKCHHIB-UHFFFAOYSA-N +HMDB0000926 79.042199165 Pyridine C5H5N JUJWROOIHBZHMG-UHFFFAOYSA-N +HMDB0000929 204.089877638 L-Tryptophan C11H12N2O2 QIVBCDIJIAJPQS-VIFPVBQESA-N +HMDB0000933 228.136159128 "Traumatic acid" C12H20O4 MAZWDMBCPDUFDJ-VQHVLOKHSA-N +HMDB0000937 412.370516166 Stigmasterol C29H48O HCXVJBMSMIARIN-PHZDYDNGSA-N +HMDB0000939 384.12158847 S-Adenosylhomocysteine C14H20N6O5S ZJUKTBDSGOFHSH-WFMPWKQPSA-N +HMDB0000943 136.037173366 "Threonic acid" C4H8O5 JPIJQSOTBSSVTP-GBXIJSLDSA-N +HMDB0000944 340.334130652 "Behenic acid" C22H44O2 UKMSUNONTOPOIO-UHFFFAOYSA-N +HMDB0000946 392.292659768 "Ursodeoxycholic acid" C24H40O4 RUDATBOHQWOJDD-UZVSRGJWSA-N +HMDB0000947 186.161979948 "Undecanoic acid" C11H22O2 ZDPHROOEEOARMN-UHFFFAOYSA-N +HMDB0000951 499.296758867 "Taurochenodesoxycholic acid" C26H45NO6S BHTRKEVKTKCXOH-BJLOMENOSA-N +HMDB0000954 194.057908808 "trans-Ferulic acid" C10H10O4 KSEBMYQBYZTDHS-HWKANZROSA-N +HMDB0000955 194.057908808 "Isoferulic acid" C10H10O4 QURCVMIEKCOAJU-HWKANZROSA-N +HMDB0000957 110.036779436 Pyrocatechol C6H6O2 YCIMNLLNPGFGHC-UHFFFAOYSA-N +HMDB0000965 109.019749163 Hypotaurine C2H7NO2S VVIUBCNYACGLLV-UHFFFAOYSA-N +HMDB0000975 342.116211546 Trehalose C12H22O11 HDTRYLNUVZCQOY-LIZSDCNHSA-N +HMDB0000978 207.053157781 "4-(2-Aminophenyl)-2,4-dioxobutanoic acid" C10H9NO4 CAOVWYZQMPNAFJ-UHFFFAOYSA-N +HMDB0000982 257.101170605 5-Methylcytidine C10H15N3O5 ZAYHVCMSTBRABG-JXOAFFINSA-N +HMDB0000990 44.02621475 Acetaldehyde C2H4O IKHGUXGNUITLKF-UHFFFAOYSA-N +HMDB0000991 159.125928793 "DL-2-Aminooctanoic acid" C8H17NO2 AKVBCGQVQXPRLD-UHFFFAOYSA-N +HMDB0001008 582.247834831 Biliverdin C33H34N4O6 QBUVFDKTZJNUPP-BBROENKCSA-N +HMDB0001015 177.045963913 N-Formyl-L-methionine C6H11NO3S PYUSHNKNPOHWEZ-RXMQYKEDSA-N +HMDB0001032 368.165744696 "Dehydroepiandrosterone sulfate" C19H28O5S CZWCKYRVOZZJNM-USOAJAOKSA-N +HMDB0001043 304.240230268 "Arachidonic acid" C20H32O2 YZXBAPSDXZZRGB-DOFZRALJSA-N +HMDB0001049 250.062342258 gamma-Glutamylcysteine C8H14N2O5S RITKHVBHSGLULN-WHFBIAKZSA-N +HMDB0001051 90.031694058 Glyceraldehyde C3H6O3 MNQZXJOMYWMBOU-UHFFFAOYSA-N +HMDB0001067 304.090665498 "N-Acetylaspartylglutamic acid" C11H16N2O8 OPVPGKGADVGKTG-UHFFFAOYSA-N +HMDB0001072 862.683911368 "Coenzyme Q10" C59H90O4 ACTIUHUUMQJHFO-UPTCCGCDSA-N +HMDB0001078 260.029718526 "Mannose 6-phosphate" C6H13O9P NBSCHQHZLSJFNQ-RWOPYEJCSA-N +HMDB0001101 152.047344122 "p-Anisic acid" C8H8O3 ZEYHEAKUIGZSGI-UHFFFAOYSA-N +HMDB0001104 220.105921632 N-Acetyl-b-glucosaminylamine C8H16N2O5 MCGXOCXFFNKASF-FMDGEEDCSA-N +HMDB0001123 137.047678473 "2-Aminobenzoic acid" C7H7NO2 RWZYAGGXGHYGMB-UHFFFAOYSA-N +HMDB0001129 221.089937217 N-Acetylmannosamine C8H15NO6 OVRNDRQMDRJTHS-OZRXBMAMSA-N +HMDB0001138 189.063722467 "N-Acetylglutamic acid" C7H11NO5 RFMMMVDNIPUKGG-UHFFFAOYSA-N +HMDB0001139 354.240624198 "Prostaglandin F2a" C20H34O5 PXGPLTODNUVGFL-UAAPODJFSA-N +HMDB0001140 128.120115134 Octanal C8H16O NUJGJRNETVAIRJ-UHFFFAOYSA-N +HMDB0001147 119.021857653 "Aminomalonic acid" C3H5NO4 JINBYESILADKFW-UHFFFAOYSA-N +HMDB0001160 354.349780716 "Tricosanoic acid" C23H46O2 XEZVDURJDFGERA-UHFFFAOYSA-N +HMDB0001161 146.118103761 "4-Trimethylammoniobutanoic acid" C7H16NO2 JHPNVNIEXXLNTR-UHFFFAOYSA-O +HMDB0001170 386.354866094 Lathosterol C27H46O IZVFFXVYBHFIHY-SKCNUYALSA-N +HMDB0001173 297.089560061 5'-Methylthioadenosine C11H15N5O3S WUUGFSXJNOTRMR-IOSLPCCCSA-N +HMDB0001183 130.135765198 Octanol C8H18O KBPLFHHGFOOTCA-UHFFFAOYSA-N +HMDB0001184 84.057514878 "Methyl propenyl ketone" C5H8O LABTWGUMFABVFG-ONEGZZNKSA-N +HMDB0001185 399.145063566 S-Adenosylmethionine C15H23N6O5S MEFKEPWMEQBLKI-AIRLBKTGSA-O +HMDB0001190 159.068413915 Indoleacetaldehyde C10H9NO WHOOUMGHGSPMGR-UHFFFAOYSA-N +HMDB0001202 307.056936329 dCMP C9H14N3O7P NCMVOABPESMRCP-SHYZEUOFSA-N +HMDB0001220 352.224974134 "Prostaglandin E2" C20H32O5 XEYBRNLFEZDVAW-ARSRFYASSA-N +HMDB0001227 322.056601978 "5-Thymidylic acid" C10H15N2O8P GYOZYWVXFNDGLU-XLPZGREQSA-N +HMDB0001229 195.053157781 Dopaquinone C9H9NO4 AHMIDUVKSGCHAU-LURJTMIESA-N +HMDB0001248 785.157134455 FAD C27H33N9O15P2 VWWQXMAJTJZDQX-UYBVJOGSSA-N +HMDB0001251 426.386166222 Lanosterin C30H50O CAHGCLMLTWQZNJ-BQNIITSRSA-N +HMDB0001256 202.215746852 Spermine C10H26N4 PFNFFQXMRSDOHW-UHFFFAOYSA-N +HMDB0001257 145.157897623 Spermidine C7H19N3 ATHGHQPFGPMSJY-UHFFFAOYSA-N +HMDB0001262 504.169034976 Maltotriose C18H32O16 FYGDTMLNYKFZSV-DZOUCCHMSA-N +HMDB0001266 180.063388116 L-Sorbose C6H12O6 LKDRXBCSQODPBY-BGPJRJDNSA-N +HMDB0001310 89.047678473 D-Alanine C3H7NO2 QNAYBMKLOCPYGJ-UWTATZPHSA-N +HMDB0001325 188.152477894 N6,N6,N6-Trimethyl-L-lysine C9H20N2O2 MXNRLFUSFKVQSK-QMMMGPOBSA-N +HMDB0001336 168.042258744 "3,4-Dihydroxybenzeneacetic acid" C8H8O4 CFFZDZCDUFSOFZ-UHFFFAOYSA-N +HMDB0001339 881.146902423 Glutaryl-CoA C26H42N7O19P3S SYKWLIJQEHRDNH-KRPIADGTSA-N +HMDB0001352 104.010958616 "Hydroxypyruvic acid" C3H4O4 HHDDCCUIIUWNGJ-UHFFFAOYSA-N +HMDB0001370 190.095356946 "Diaminopimelic acid" C7H14N2O4 GMKMEZVLHJARHF-WHFBIAKZSA-N +HMDB0001388 278.224580204 "Alpha-Linolenic acid" C18H30O2 DTOSIQBPPRVQHS-PDBXOOCHSA-N +HMDB0001392 137.047678473 "p-Aminobenzoic acid" C7H7NO2 ALYNCZNDIQEVRV-UHFFFAOYSA-N +HMDB0001398 124.052429498 Guaiacol C7H8O2 LHGVFZTZFXWLCP-UHFFFAOYSA-N +HMDB0001401 260.029718526 "Glucose 6-phosphate" C6H13O9P NBSCHQHZLSJFNQ-GASJEMHNSA-N +HMDB0001406 122.048012824 Niacinamide C6H6N2O DFPAKSUCGFBDDF-UHFFFAOYSA-N +HMDB0001414 88.100048394 Putrescine C4H12N2 KIDHWZJUCRJVML-UHFFFAOYSA-N +HMDB0001419 402.349780716 24-Hydroxycholesterol C27H46O2 IOWMKBFJCNLRTC-XWXSNNQWSA-N +HMDB0001429 97.976895096 Phosphate H3O4P NBIIXXVUZAFLBC-UHFFFAOYSA-N +HMDB0001431 168.089877638 Pyridoxamine C8H12N2O2 NHZMQXZHNVQTQA-UHFFFAOYSA-N +HMDB0001432 130.121846468 Agmatine C5H14N4 QYPPJABKJHAVHS-UHFFFAOYSA-N +HMDB0001448 97.967379242 Sulfate H2O4S QAOWNCQODCNURD-UHFFFAOYSA-N +HMDB0001453 57.975144695 Thiocyanate CNS ZMZDMBWJUHKJPS-UHFFFAOYSA-M +HMDB0001480 299.282429433 3-Dehydrosphinganine C18H37NO2 KBUNOSOGGAARKZ-KRWDZBQOSA-N +HMDB0001485 114.140850576 Octane C8H18 TVMXDCGIABBOFY-UHFFFAOYSA-N +HMDB0001488 123.032028409 "Nicotinic acid" C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N +HMDB0001492 416.36543078 Gamma-Tocopherol C28H48O2 QUEDXNHFTDJVIY-UHFFFAOYSA-N +HMDB0001496 402.349780716 7a-Hydroxycholesterol C27H46O2 OYXZMSRRJOYLLO-AWBHSAGMSA-N +HMDB0001505 78.046950192 Benzene C6H6 UHOVQNZJYSORNB-UHFFFAOYSA-N +HMDB0001514 179.079372531 Glucosamine C6H13NO5 MSWZFWKMSRAUBD-IVMDWMLBSA-N +HMDB0001520 456.104614802 "Flavin Mononucleotide" C17H21N4O9P FVTCRASFADXXNN-SCRDCRAPSA-N +HMDB0001522 73.063997239 Methylguanidine C2H7N3 CHJJGSNFBQVOTG-UHFFFAOYSA-N +HMDB0001527 120.02450019 "3-Methylthiopropionic acid" C4H8O2S CAOMCZAIALVUPA-UHFFFAOYSA-N +HMDB0001536 45.021463723 Formamide CH3NO ZHNUHDYFZUAESO-UHFFFAOYSA-N +HMDB0001539 202.14297584 "Asymmetric dimethylarginine" C8H18N4O2 YDGMGEXADBMOMJ-LURJTMIESA-N +HMDB0001545 167.058243159 Pyridoxal C8H9NO3 RADKZDMFGJYCBB-UHFFFAOYSA-N +HMDB0001548 230.01915384 "D-Ribose 5-phosphate" C5H11O8P KTVPXOYAKDPRHY-SOOFDHNKSA-N +HMDB0001563 297.107318615 1-Methylguanosine C11H15N5O5 UTAIYTHAJQNQDW-KQYNXXCUSA-N +HMDB0001565 184.073869485 Phosphorylcholine C5H15NO4P YHHSONZFOIEMCP-UHFFFAOYSA-O +HMDB0001569 388.370516158 Epi-coprostanol C27H48O QYIXCDOBOSTCEI-FBVYSKEZSA-N +HMDB0001624 132.07864425 "2-Hydroxycaproic acid" C6H12O3 NYHNVHGFPZAZGA-UHFFFAOYSA-N +HMDB0001644 150.05282343 D-Xylulose C5H10O5 ZAQJHHRNXZUBTE-WUJLRWPWSA-N +HMDB0001645 131.094628665 L-Norleucine C6H13NO2 LRQKBLKVPFOOQJ-YFKPBYRVSA-N +HMDB0001659 58.041864814 Acetone C3H6O CSCPPACGZOOCGX-UHFFFAOYSA-N +HMDB0001713 164.047344122 "m-Coumaric acid" C9H8O3 KKSDGJDHHZEWEP-SNAWJCMRSA-N +HMDB0001844 132.042258744 "Methylsuccinic acid" C5H8O4 WXUAQHNMJWJLTG-UHFFFAOYSA-N +HMDB0001847 194.080375584 Caffeine C8H10N4O2 RYYVLZVUVIJVGH-UHFFFAOYSA-N +HMDB0001851 152.068473494 L-Arabitol C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N +HMDB0001856 154.026608673 "Protocatechuic acid" C7H6O4 YQUVCSBJEUQKSH-UHFFFAOYSA-N +HMDB0001857 196.059640142 "1,3-Dimethyluric acid" C7H8N4O3 OTSBKHHWSQYEHK-UHFFFAOYSA-N +HMDB0001858 108.057514878 p-Cresol C7H8O IWDCLRJOBJJRNH-UHFFFAOYSA-N +HMDB0001859 151.063328537 Acetaminophen C8H9NO2 RZVAJINKPMORJF-UHFFFAOYSA-N +HMDB0001860 180.06472552 Paraxanthine C7H8N4O2 QUNWUDVFRNGTCO-UHFFFAOYSA-N +HMDB0001863 118.062994186 "2-Hydroxyvaleric acid" C5H10O3 JRHWHSJDIILJAT-UHFFFAOYSA-N +HMDB0001867 194.069142196 "4-Aminohippuric acid" C9H10N2O3 HSMNQINEKMPTIC-UHFFFAOYSA-N +HMDB0001870 122.036779433 "Benzoic acid" C7H6O2 WPYMKLBDIGXBTP-UHFFFAOYSA-N +HMDB0001871 290.07903818 Epicatechin C15H14O6 PFTAWBLQPZVEMU-UKRRQHHQSA-N +HMDB0001873 88.0524295 "Isobutyric acid" C4H8O2 KQNPFQTWMSNSAP-UHFFFAOYSA-N +HMDB0001875 32.02621475 Methanol CH4O OKKJLVBELUTLKV-UHFFFAOYSA-N +HMDB0001881 76.0524295 "Propylene glycol" C3H8O2 DNIAPMSPPWPWGF-UHFFFAOYSA-N +HMDB0001882 90.031694058 Dihydroxyacetone C3H6O3 RXKJFZQQPQGTFL-UHFFFAOYSA-N +HMDB0001886 166.049075456 3-Methylxanthine C6H6N4O2 GMSNIKWWOQHZGF-UHFFFAOYSA-N +HMDB0001889 180.06472552 Theophylline C7H8N4O2 ZFXYFBGIUFBOJW-UHFFFAOYSA-N +HMDB0001890 163.030313849 Acetylcysteine C5H9NO3S PWKSKIMOESPYIA-BYPYZUCNSA-N +HMDB0001893 430.381080844 alpha-Tocopherol C29H50O2 GVJHHUAWPYXKBD-IEOSBIPESA-N +HMDB0001895 138.031694053 "Salicylic acid" C7H6O3 YGSDEFSMJLZEOE-UHFFFAOYSA-N +HMDB0001898 592.32608516 Mesobilirubinogen C33H44N4O6 OBHRVMZSZIDDEK-UHFFFAOYSA-N +HMDB0001901 131.094628665 "Aminocaproic acid" C6H13NO2 SLXKOJJOQWFEFD-UHFFFAOYSA-N +HMDB0001903 416.329045274 Calcitriol C27H44O3 GMRQFYUYWCNGIN-NKMMMXOESA-N +HMDB0001906 103.063328537 "2-Aminoisobutyric acid" C4H9NO2 FUOOLUPWFVMBKG-UHFFFAOYSA-N +HMDB0001921 129.101445377 1,1-Dimethylbiguanide C4H11N5 XZWYZXLIPXDOLR-UHFFFAOYSA-N +HMDB0001923 230.094294314 Naproxen C14H14O3 CMWTZPSULFXXJA-VIFPVBQESA-N +HMDB0001924 266.16304258 Atenolol C14H22N2O3 METKIMKYRPQLGS-UHFFFAOYSA-N +HMDB0001928 296.964474846 Hydrochlorothiazide C7H8ClN3O4S2 JZUFKLXOESDKRF-UHFFFAOYSA-N +HMDB0001929 361.143784348 Levofloxacin C18H20FN3O4 GSDSWSVVBLHKDQ-JTQLQIEISA-N +HMDB0001931 264.136159124 gamma-CEHC C15H20O4 VMJQLPNCUPGMNQ-UHFFFAOYSA-N +HMDB0001932 267.183443671 Metoprolol C15H25NO3 IUBSYMUCCVWXPE-UHFFFAOYSA-N +HMDB0001933 330.007719869 Furosemide C12H11ClN2O5S ZZUFCTLCJUWOSV-UHFFFAOYSA-N +HMDB0001940 253.107593387 Triamterene C12H11N7 FNYLWPVRPXGIIP-UHFFFAOYSA-N +HMDB0001943 165.115364107 Pseudoephedrine C10H15NO KWGRBVOPPLSCSI-WCBMZHEXSA-N +HMDB0001954 160.109944378 "3-Hydroxyoctanoic acid" C8H16O3 NDPLAKGOSZHTPH-UHFFFAOYSA-N +HMDB0001964 180.042258744 "Caffeic acid" C9H8O4 QAIPRVGONGVQAS-RQOWECAXSA-N +HMDB0001970 182.043990078 "3-Methyluric acid" C6H6N4O3 ODCYDGXXCHTFIR-UHFFFAOYSA-N +HMDB0001976 330.255880332 "Docosapentaenoic acid (22n-6)" C22H34O2 AVKOENOBFIYBSA-WMPRHZDHSA-N +HMDB0001982 196.059640142 "3,7-Dimethyluric acid" C7H8N4O3 HMLZLHKHNBLLJD-UHFFFAOYSA-N +HMDB0001988 144.07864425 "4-Hydroxycyclohexylcarboxylic acid" C7H12O3 HCFRWBBJISAZNK-UHFFFAOYSA-N +HMDB0001991 166.049075456 7-Methylxanthine C6H6N4O2 PFWLFWPASULGAN-UHFFFAOYSA-N +HMDB0001999 302.224580204 "Eicosapentaenoic acid" C20H30O2 JAZBEHYOTPTENJ-JLNKQSITSA-N +HMDB0002000 226.193280076 "Myristoleic acid" C14H26O2 YWWVWXASSLXJHU-WAYWQWQTSA-N +HMDB0002001 132.042258744 "Dimethylmalonic acid" C5H8O4 OREAFAJWWJHCOT-UHFFFAOYSA-N +HMDB0002003 368.36543078 "Tetracosanoic acid" C24H48O2 QZZGJDVWLFXDLK-UHFFFAOYSA-N +HMDB0002005 165.045963913 "Methionine sulfoxide" C5H11NO3S QEFRNWWLZKMPFJ-UHFFFAOYSA-N +HMDB0002013 231.14705816 Butyrylcarnitine C11H21NO4 QWYFHHGCZUCMBN-SECBINFHSA-N +HMDB0002017 121.089149357 1-Phenylethylamine C8H11N RQEUFEKYXDPUSK-UHFFFAOYSA-N +HMDB0002019 296.307915908 Phytol C20H40O BOTWFXYSPFMFNR-PYDDKJGSSA-N +HMDB0002024 126.042927446 "Imidazoleacetic acid" C5H6N2O2 PRJKNHOMHKJCEJ-UHFFFAOYSA-N +HMDB0002032 167.044324429 8-Hydroxyguanine C5H5N5O2 CLGFIVUFZRGQRP-UHFFFAOYSA-N +HMDB0002035 164.047344122 "4-Hydroxycinnamic acid" C9H8O3 NGSWKAQJJWESNS-ZZXKWVIFSA-N +HMDB0002048 108.057514878 m-Cresol C7H8O RLSSMJSEOOYNOY-UHFFFAOYSA-N +HMDB0002055 108.057514878 o-Cresol C7H8O QWVGKYWNOKOFNN-UHFFFAOYSA-N +HMDB0002064 130.11061308 N-Acetylputrescine C6H14N2O KLZGKIDSEJWEDW-UHFFFAOYSA-N +HMDB0002068 338.318480588 "Erucic acid" C22H42O2 DPUOLQHDNGRHBS-KTKRTIGZSA-N +HMDB0002085 198.052823422 "Syringic acid" C9H10O5 JMSVCTWVEWCHDZ-UHFFFAOYSA-N +HMDB0002088 325.298079497 N-Oleoylethanolamine C20H39NO2 BOWVQLFMWHZBEF-KTKRTIGZSA-N +HMDB0002098 488.174120354 2-Fucosyllactose C18H32O15 HWHQUWQCBPAQQH-BWRPKUOHSA-N +HMDB0002100 299.282429433 Palmitoylethanolamide C18H37NO2 HXYVTAGFYLMHSO-UHFFFAOYSA-N +HMDB0002107 166.02660868 "Phthalic acid" C8H6O4 XNGIFLGASWRNHJ-UHFFFAOYSA-N +HMDB0002108 135.035399227 Methylcysteine C4H9NO2S IDIDJDIHTAOVLG-VKHMYHEASA-N +HMDB0002117 281.271864747 Oleamide C18H35NO FATBGEAMYMYZAF-KTKRTIGZSA-N +HMDB0002123 210.075290206 "1,3,7-Trimethyluric acid" C8H10N4O3 BYXCFUMGEBZDDI-UHFFFAOYSA-N +HMDB0002124 270.05282343 Apigenin C15H10O5 KZNIFHPLKGYRTM-UHFFFAOYSA-N +HMDB0002142 97.976895096 "Phosphoric acid" H3O4P NBIIXXVUZAFLBC-UHFFFAOYSA-N +HMDB0002151 78.013935504 "Dimethyl sulfoxide" C2H6OS IAZDPXIOMUYVGZ-UHFFFAOYSA-N +HMDB0002166 103.063328537 "(S)-b-aminoisobutyric acid" C4H9NO2 QCHPKSFMDHPSNR-VKHMYHEASA-N +HMDB0002172 286.236876224 N1,N12-Diacetylspermine C14H30N4O2 NPDTUDWGJMBVEP-UHFFFAOYSA-N +HMDB0002176 102.068079564 "Ethylmethylacetic acid" C5H10O2 WLAMNBDJUVNPJU-UHFFFAOYSA-N +HMDB0002183 328.240230268 "Docosahexaenoic acid" C22H32O2 MBMBGCFOFBJSGT-KUBAVDMBSA-N +HMDB0002199 166.062994186 Desaminotyrosine C9H10O3 NMHMNPHRMNGLLB-UHFFFAOYSA-N +HMDB0002201 175.084457909 "N-Carboxyethyl-g-aminobutyric acid" C7H13NO4 SRGQUICKDUQCKO-UHFFFAOYSA-N +HMDB0002203 188.141244506 "3-Hydroxycapric acid" C10H20O3 FYSSBMZUBSBFJL-UHFFFAOYSA-N +HMDB0002212 312.302830524 "Arachidic acid" C20H40O2 VKOBVWXKNCXXDE-UHFFFAOYSA-N +HMDB0002226 332.271530396 "Adrenic acid" C22H36O2 TWSWSIQAPQLDBP-DOFZRALJSA-N +HMDB0002227 305.199093735 Capsaicin C18H27NO3 YKPUWZUDDOIDPM-SOFGYWHQSA-N +HMDB0002231 310.28718046 "11Z-Eicosenoic acid" C20H38O2 BITHHVVYSMSWAG-KTKRTIGZSA-N +HMDB0002243 123.032028409 "Picolinic acid" C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N +HMDB0002250 343.272258677 Dodecanoylcarnitine C19H37NO4 FUJLYHJROOYKRA-QGZVFWFLSA-N +HMDB0002259 270.255880332 "Heptadecanoic acid" C17H34O2 KEMQGTRYUADPNZ-UHFFFAOYSA-N +HMDB0002261 244.203844762 "2-Hydroxymyristic acid" C14H28O3 JYZJYKOZGGEXSX-UHFFFAOYSA-N +HMDB0002264 160.109944378 "(R)-2-Hydroxycaprylic acid" C8H16O3 JKRDADVRIYVCCY-SSDOTTSWSA-N +HMDB0002269 368.125988372 Curcumin C21H20O6 VFLDPWHFBUODDF-FCXRPNKRSA-N +HMDB0002271 140.05857751 "Imidazolepropionic acid" C6H8N2O2 ZCKYOWGFRHAZIQ-UHFFFAOYSA-N +HMDB0002284 144.126263144 N-Acetylcadaverine C7H16N2O RMOIHHAKNOFHOE-UHFFFAOYSA-N +HMDB0002299 103.063328537 "(R)-b-aminoisobutyric acid" C4H9NO2 QCHPKSFMDHPSNR-GSVOUGTGSA-N +HMDB0002302 189.078978601 "Indole-3-propionic acid" C11H11NO2 GOLXRNDWAUTYKT-UHFFFAOYSA-N +HMDB0002303 62.019020882 Dimethylsulfide C2H6S QMMFVYPAHWMCMS-UHFFFAOYSA-N +HMDB0002320 156.053492132 "Imidazolelactic acid" C6H8N2O3 JTYMXXCJQKGGFG-UHFFFAOYSA-N +HMDB0002322 102.115698458 Cadaverine C5H14N2 VHRGRCVQAFMJIZ-UHFFFAOYSA-N +HMDB0002327 244.167459256 "1,11-Undecanedicarboxylic acid" C13H24O4 DXNCZXXFRKPEPY-UHFFFAOYSA-N +HMDB0002329 89.995308552 "Oxalic acid" C2H2O4 MUBZPKHOEPUJKR-UHFFFAOYSA-N +HMDB0002340 136.0524295 "2-Methylbenzoic acid" C8H8O2 ZWLPBLYKEWSWPD-UHFFFAOYSA-N +HMDB0002349 142.02660868 "trans-trans-Muconic acid" C6H6O4 TXXHDPDFNKHHGW-ZPUQHVIOSA-N +HMDB0002350 270.292265838 Octadecanol C18H38O GLDOVTGHNKAZLK-UHFFFAOYSA-N +HMDB0002361 382.381080844 "Pentacosanoic acid" C25H50O2 MWMPEAHGUXCSMY-UHFFFAOYSA-N +HMDB0002362 118.074227574 "2,4-Diaminobutyric acid" C4H10N2O2 OGNSCSPNOLGXSM-UHFFFAOYSA-N +HMDB0002364 456.360345406 "Oleanolic acid" C30H48O3 MIJYXULNPSFWEK-GTOFXWBISA-N +HMDB0002366 243.14705816 Tiglylcarnitine C12H21NO4 WURBQCVBQNMUQT-OLKPEBQYSA-N +HMDB0002368 366.349780716 "Nervonic acid" C24H46O2 GWHCXVQVJPWHRF-KTKRTIGZSA-N +HMDB0002372 283.120843415 N-Phenylacetylphenylalanine C17H17NO3 LIIPHJDKZNTNII-HNNXBMFYSA-N +HMDB0002384 268.276615774 Stearaldehyde C18H36O FWWQKRXKHIRPJY-UHFFFAOYSA-N +HMDB0002390 152.047344122 "3-Cresotinic acid" C8H8O3 WHSXTWFYRGOBGO-UHFFFAOYSA-N +HMDB0002395 456.360345406 "Ursolic acid" C30H48O3 WCGUUGGRBIKTOS-GPOJBZKASA-N +HMDB0002409 529.270938047 N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine C26H43NO8S DKXXSIJHWWVNMO-XROMFQGDSA-N +HMDB0002432 142.02660868 "Sumiki's acid" C6H6O4 PCSKKIUURRTAEM-UHFFFAOYSA-N +HMDB0002466 138.031694053 "3-Hydroxybenzoic acid" C7H6O3 IJFXRHURBJZNAO-UHFFFAOYSA-N +HMDB0002504 458.23382426 "3-Sulfodeoxycholic acid" C23H38O7S WSBVSABEAXNERB-JNLBVXOESA-N +HMDB0002520 172.013674532 "Beta-Glycerophosphoric acid" C3H9O6P DHCLVCXQIBBOPH-UHFFFAOYSA-N +HMDB0002536 392.292659768 "Isodeoxycholic acid" C24H40O4 ZHCAAZIHTDCFJX-QLEQUTGBSA-N +HMDB0002545 194.042652674 "Galacturonic acid" C6H10O7 IAJILQKETJEXLJ-RSJOWCBRSA-N +HMDB0002580 563.258658801 "Taurolithocholic acid 3-sulfate" C26H45NO8S2 HSNPMXROZIQAQD-GBURMNQMSA-N +HMDB0002586 472.249474324 "Chenodeoxycholic acid 3-sulfate" C24H40O7S WHMOBEGYTDWMIG-BSWAIDMHSA-N +HMDB0002639 513.276023425 Sulfolithocholylglycine C26H43NO7S FHXBAFXQVZOILS-JWOIRZCRSA-N +HMDB0002642 472.249474324 "Ursodeoxycholic acid 3-sulfate" C24H40O7S WHMOBEGYTDWMIG-ROKSHQGPSA-N +HMDB0002658 139.026943031 "6-Hydroxynicotinic acid" C6H5NO3 BLHCMGRVFXRYRN-UHFFFAOYSA-N +HMDB0002670 272.068473494 Naringenin C15H12O5 FTVWIRXFELQLPI-ZDUSSCGKSA-N +HMDB0002685 356.256274262 "Prostaglandin F1a" C20H36O5 DZUXGQBLFALXCR-CDIPTNKSSA-N +HMDB0002714 16.031300128 Methane CH4 VNWKTOKETHGBQD-UHFFFAOYSA-N +HMDB0002759 370.18139476 "Androsterone sulfate" C19H30O5S ZMITXKRGXGRMKS-HLUDHZFRSA-N +HMDB0002780 290.07903818 Catechin C15H14O6 PFTAWBLQPZVEMU-DZGCQCFKSA-N +HMDB0002815 521.348139535 LysoPC(18:1(9Z)) C26H52NO7P YAMUFBLWGFFICM-PTGWMXDISA-N +HMDB0002820 140.05857751 "Methylimidazoleacetic acid" C6H8N2O2 ZHCKPJGJQOPTLB-UHFFFAOYSA-N +HMDB0002823 334.28718046 "Docosatrienoic acid" C22H38O2 WBBQTNCISCKUMU-PDBXOOCHSA-N +HMDB0002825 180.06472552 Theobromine C7H8N4O2 YAPQBXQYLJRXSA-UHFFFAOYSA-N +HMDB0002869 400.370516166 Campesterol C28H48O SGNBVLSWZMBQTH-PODYLUTMSA-N +HMDB0002902 402.349780716 Delta-Tocopherol C27H46O2 GZIFEOYASATJEH-VHFRWLAGSA-N +HMDB0002917 152.068473494 D-Xylitol C5H12O5 HEBKCHPVOIAQTA-NGQZWQHPSA-N +HMDB0002925 306.255880332 "8,11,14-Eicosatrienoic acid" C20H34O2 HOBAELRKJCKHQD-QNEBEIHSSA-N +HMDB0002931 147.053157781 N-Acetylserine C5H9NO4 JJIHLJJYMXLCOY-BYPYZUCNSA-N +HMDB0002939 100.088815006 "Methyl isobutyl ketone" C6H12O NTIZESTWPVYFNL-UHFFFAOYSA-N +HMDB0002985 260.029718526 "Inositol phosphate" C6H13O9P INAPMGSXUVUWAF-XCMZKKERSA-N +HMDB0002994 122.057908808 Erythritol C4H10O4 UNXHWFMMPAWVPI-ZXZARUISSA-N +HMDB0003072 192.063388116 "Quinic acid" C7H12O6 AAWZDTNXLSGCEK-RKGSPJAZSA-N +HMDB0003073 278.224580204 "Gamma-Linolenic acid" C18H30O2 VZCCETWTMQHEPK-QNEBEIHSSA-N +HMDB0003099 182.043990078 "1-Methyluric acid" C6H6N4O3 QFDRTQONISXGJA-UHFFFAOYSA-N +HMDB0003119 108.057514878 "Benzyl alcohol" C7H8O WVDDGKGOMKODPV-UHFFFAOYSA-N +HMDB0003156 90.068079564 2,3-Butanediol C4H10O2 OWBTYPJTUOEWEK-UHFFFAOYSA-N +HMDB0003157 175.059305791 "Guanidinosuccinic acid" C5H9N3O4 VVHOUVWJCQOYGG-REOHCLBHSA-N +HMDB0003178 616.177297665 Heme C34H32FeN4O4 KABFMIBPWCXCRK-RGGAHWMASA-L +HMDB0003213 504.169034976 Raffinose C18H32O16 MUPFEKGTMRGPLJ-BQCSWRFHSA-N +HMDB0003217 270.052823422 Genistein C15H10O5 TZBJGXHYKVUXJN-UHFFFAOYSA-N +HMDB0003224 134.057908808 Deoxyribose C5H10O4 PDWIQYODPROSQH-WISUUJSJSA-N +HMDB0003227 48.003370818 Methanethiol CH4S LSDPWZHWYPCBBB-UHFFFAOYSA-N +HMDB0003229 254.224580204 "Palmitoleic acid" C16H30O2 SECPZKHBENQXJG-FPLPWBNLSA-N +HMDB0003231 282.255880335 "Vaccenic acid" C18H34O2 UWHZIFQPPBDJPM-BQYQJAHWSA-N +HMDB0003236 397.334465003 Solanidine C27H43NO JVKYZPBMZPJNAJ-OQFNDJACSA-N +HMDB0003243 88.0524295 Acetoin C4H8O2 ROWKJAVDOGWPAT-UHFFFAOYSA-N +HMDB0003265 610.189770418 Hesperidin C28H34O15 QUQPHWDTPGMPEX-UNZJSITISA-N +HMDB0003276 33.987720754 "Hydrogen sulfide" H2S RWSOTUBLDIXVET-UHFFFAOYSA-N +HMDB0003290 196.058302738 "Gulonic acid" C6H12O7 RGHNJXZEOKUKBD-KKQCNMDGSA-N +HMDB0003312 254.057908802 Daidzein C15H10O4 ZQSIJRDFPHDXIC-UHFFFAOYSA-N +HMDB0003315 98.073164942 Cyclohexanone C6H10O JHIVVAPYMSGYDF-UHFFFAOYSA-N +HMDB0003320 161.047678473 "Indole-3-carboxylic acid" C9H7NO2 KMAKOBLIOCQGJP-UHFFFAOYSA-N +HMDB0003331 281.112403993 1-Methyladenosine C11H15N5O4 GFYLSDSUCHVORB-IOSLPCCCSA-N +HMDB0003334 202.14297584 "Symmetric dimethylarginine" C8H18N4O2 HVPFXCBJHIIJGS-LURJTMIESA-N +HMDB0003339 147.053157781 "D-Glutamic acid" C5H9NO4 WHUUTDBJXJRKMK-GSVOUGTGSA-N +HMDB0003345 180.063388116 Alpha-D-Glucose C6H12O6 WQZGKKKJIJFFOK-DVKNGEFBSA-N +HMDB0003349 158.03275669 "L-Dihydroorotic acid" C5H6N2O4 UFIVEPVSAGBUSI-REOHCLBHSA-N +HMDB0003352 156.151415264 Menthol C10H20O NOOLISFMXDJSKH-KXUCPTDWSA-N +HMDB0003355 117.078978601 "5-Aminopentanoic acid" C5H11NO2 JJMDCOVWQOJGCB-UHFFFAOYSA-N +HMDB0003357 174.100442324 N-Acetylornithine C7H14N2O3 JRLGPAXAGHMNOL-LURJTMIESA-N +HMDB0003361 80.037448138 Pyrimidine C4H4N2 CZPWVGJYEJSRLH-UHFFFAOYSA-N +HMDB0003363 194.042652674 "Pectic acid" C6H10O7 AEMOLEFTQBMNLQ-BKBMJHBISA-N +HMDB0003366 58.041864814 Propanal C3H6O NBBJYMSMWIIQGU-UHFFFAOYSA-N +HMDB0003371 150.05282343 L-Ribulose C5H10O5 LQXVFWRQNMEDEE-OVEKKEMJSA-N +HMDB0003374 132.089877638 D-Ornithine C5H12N2O2 AHLPHDHHMVZTML-SCSAIBSYSA-N +HMDB0003375 136.125200512 D-Limonene C10H16 XMGQYMWWDOXHJM-SNVBAGLBSA-N +HMDB0003405 146.105527702 D-Lysine C6H14N2O2 KDXKERNSBIXSRK-YFKPBYRVSA-N +HMDB0003407 86.036779436 Diacetyl C4H6O2 QSJXEFYPDANLFS-UHFFFAOYSA-N +HMDB0003424 242.26096571 1-Hexadecanol C16H34O BXWNKGSJHAJOGX-UHFFFAOYSA-N +HMDB0003441 132.057514878 Cinnamaldehyde C9H8O KJPRLNWUNMBNBZ-QPJJXVBHSA-N +HMDB0003449 180.063388116 Beta-D-Galactose C6H12O6 WQZGKKKJIJFFOK-FPRJBGLDSA-N +HMDB0003464 145.085126611 "4-Guanidinobutanoic acid" C5H11N3O2 TUHVEAJXIMEOSA-UHFFFAOYSA-N +HMDB0003466 178.047738052 L-Gulonolactone C6H10O6 SXZYCXMUPBBULW-SKNVOMKLSA-N +HMDB0003518 206.042652674 "Homocitric acid" C7H10O7 XKJVEVRQMLKSMO-SSDOTTSWSA-N +HMDB0003543 72.057514878 Butanal C4H8O ZTQSAGDEMFDKMZ-UHFFFAOYSA-N +HMDB0003603 540.490631292 CE(10:0) C37H64O2 LJGMGXXCKVFFIS-UHFFFAOYSA-N +HMDB0003646 114.042927446 N-Methylhydantoin C4H6N2O2 RHYBFKMFHLPQPH-UHFFFAOYSA-N +HMDB0003671 114.10446507 2-Heptanone C7H14O CATSNJVOTSVZJV-UHFFFAOYSA-N +HMDB0003681 145.073893223 "4-Acetamidobutanoic acid" C6H11NO3 UZTFMUBKZQVKLK-UHFFFAOYSA-N +HMDB0003818 290.224580204 5-Androstenediol C19H30O2 QADHLRWLCPCEKT-LOVVWNRFSA-N +HMDB0003843 114.068079564 Gamma-Caprolactone C6H10O2 JBFHTYHTHYHCDJ-UHFFFAOYSA-N +HMDB0003869 275.148120797 Epsilon-(gamma-Glutamyl)-lysine C11H21N3O5 JPKNLFVGUZRHOB-YUMQZZPRSA-N +HMDB0003911 103.063328537 "3-Aminoisobutanoic acid" C4H9NO2 QCHPKSFMDHPSNR-UHFFFAOYSA-N +HMDB0003990 420.360345402 3b,5a,6b-Cholestanetriol C27H48O3 YMMFNKXZULYSOQ-RUXQDQFYSA-N +HMDB0004041 119.058243159 L-Allothreonine C4H9NO3 AYFVYJQAPQTCCC-HRFVKAFMSA-N +HMDB0004043 154.135765198 Alpha-Terpineol C10H18O WUOACPNHFRMFPN-VIFPVBQESA-N +HMDB0004044 281.112403993 N6-Methyladenosine C11H15N5O4 VQAYFKKCNSOZKM-IOSLPCCCSA-N +HMDB0004067 195.053157781 Leucodopachrome C9H9NO4 JDWYRSDDJVCWPB-LURJTMIESA-N +HMDB0004073 175.063328537 5-Hydroxyindoleacetaldehyde C10H9NO2 OBFAPCIUSYHFIE-UHFFFAOYSA-N +HMDB0004077 161.047678473 4,6-Dihydroxyquinoline C9H7NO2 XFALURCRIGINGT-UHFFFAOYSA-N +HMDB0004083 223.048072403 "4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid" C10H9NO5 YCJNYHCCOXVYAF-UHFFFAOYSA-N +HMDB0004096 205.073893223 5-Methoxyindoleacetate C11H11NO3 COCNDHOPIHDTHK-UHFFFAOYSA-N +HMDB0004136 122.057908808 D-Threitol C4H10O4 UNXHWFMMPAWVPI-QWWZWVQMSA-N +HMDB0004157 596.357385288 L-Urobilinogen C33H48N4O6 VKGRRZVYCXLHII-UHFFFAOYSA-N +HMDB0004158 590.310435096 D-Urobilinogen C33H42N4O6 KSQFFJKKJAEKTB-UHFFFAOYSA-N +HMDB0004159 594.341735224 L-Urobilin C33H46N4O6 TYOWQSLRVAUSMI-WKULSOCRSA-N +HMDB0004161 588.294785032 D-Urobilin C33H40N4O6 DOKCNDVEPDZOJQ-MBTHVWNTSA-N +HMDB0004193 152.05857751 N1-Methyl-2-pyridone-5-carboxamide C7H8N2O2 JLQSXXWTCJPCBC-UHFFFAOYSA-N +HMDB0004207 275.148120797 Glutamyllysine C11H21N3O5 BBBXWRGITSUJPB-YUMQZZPRSA-N +HMDB0004230 111.032028409 "Pyrrole-2-carboxylic acid" C5H5NO2 WRHZVMBBRYBTKZ-UHFFFAOYSA-N +HMDB0004231 205.131408101 Pantothenol C9H19NO4 SNPLKNRPJHDVJA-UHFFFAOYSA-N +HMDB0004259 264.11100701 Acetyl-N-formyl-5-methoxykynurenamine C13H16N2O4 JYWNYMJKURVPFH-UHFFFAOYSA-N +HMDB0004284 138.068079564 Tyrosol C8H10O2 YCCILVSKPBXVIP-UHFFFAOYSA-N +HMDB0004327 74.073164942 1-Butanol C4H10O LRHPLDYGYMQRHN-UHFFFAOYSA-N +HMDB0004362 156.115029756 4-Hydroxynonenal C9H16O2 JVJFIQYAHPMBBX-FNORWQNLSA-N +HMDB0004400 198.075290206 5-Acetylamino-6-amino-3-methyluracil C7H10N4O3 POQOTWQIYYNXAT-UHFFFAOYSA-N +HMDB0004472 154.1357652 Eucalyptol C10H18O WEEGYLXZBRQIMU-UHFFFAOYSA-N +HMDB0004610 317.292994119 Phytosphingosine C18H39NO3 AERBNCYCJBRYDG-KSZLIROESA-N +HMDB0004620 216.122240398 N-a-Acetyl-L-arginine C8H16N4O3 SNEIUMQYRCDYCH-LURJTMIESA-N +HMDB0004666 378.277009704 2-Arachidonylglycerol C23H38O4 RCRCTBLIHCHWDZ-DOFZRALJSA-N +HMDB0004704 314.245709576 9,10-DHOME C18H34O4 XEBKSQSGNGRGDW-YFHOEESVSA-N +HMDB0004705 314.245709576 12,13-DHOME C18H34O4 CQSLTKIXAJTQGA-FLIBITNWSA-N +HMDB0004814 114.10446507 4-Heptanone C7H14O HCFAJYNVAYBARA-UHFFFAOYSA-N +HMDB0004827 143.094628665 "Proline betaine" C7H13NO2 CMUNUTVVOOHQPW-LURJTMIESA-N +HMDB0004844 1152.7131584 "Ganglioside GM3 (d18:1/16:0)" C57H104N2O21 NURCPIMQAUMKKZ-FZOQRHEPSA-N +HMDB0004848 1262.822708848 "Ganglioside GM3 (d18:1/24:1(15Z))" C65H118N2O21 BGMMKNTYKZAIDF-DJCHRBTISA-N +HMDB0004872 971.727292323 "Lactosylceramide (d18:1/24:1(15Z))" C54H101NO13 MKOKWBRPIBQYJJ-LWQSSKHKSA-N +HMDB0004947 481.449494759 "Ceramide (d18:1/12:0)" C30H59NO3 HXFPPRPLRSPNIB-VARSQMIESA-N +HMDB0004948 563.527745079 "Ceramide (d18:1/9Z-18:1)" C36H69NO3 OBFSLMQLPNKVRW-RHPAUOISSA-N +HMDB0004949 537.512095015 "Ceramide (d18:1/16:0)" C34H67NO3 YDNKGFDKKRUKPY-TURZORIXSA-N +HMDB0004950 565.543395143 "Ceramide (d18:1/18:0)" C36H71NO3 VODZWWMEJITOND-NXCSZAMKSA-N +HMDB0004951 593.574695271 "Ceramide (d18:1/20:0)" C38H75NO3 XWBWIAOWSABHFI-NUKVNZTCSA-N +HMDB0004952 621.605995399 "Ceramide (d18:1/22:0)" C40H79NO3 KEPQASGDXIEOIL-GLQCRSEXSA-N +HMDB0004953 647.621645463 Cer(d18:1/24:1(15Z)) C42H81NO3 VJSBNBBOSZJDKB-KPEYJIHVSA-N +HMDB0004955 677.668595655 Cer(d18:1/26:0) C44H87NO3 CJROVRTUSFQVMR-GVOPMEMSSA-N +HMDB0004956 649.637295527 "Ceramide (d18:1/24:0)" C42H83NO3 ZJVVOYPTFQEGPH-AUTSUKAISA-N +HMDB0004957 663.652945591 "Ceramide (d18:1/25:0)" C43H85NO3 QHPYSHVSWAOLHS-PVNBSDFKSA-N +HMDB0004971 699.564918445 "Glucosylceramide (d18:1/16:0)" C40H77NO8 VJLLLMIZEJJZTE-NNTBDIJYSA-N +HMDB0004972 727.596218573 "Glucosylceramide (d18:1/18:0)" C42H81NO8 YMYQEDCYNANIPI-DYJXBSQNSA-N +HMDB0004973 755.627518701 "Glucosylceramide (d18:1/20:0)" C44H85NO8 DFELABABMXOKTD-IYFIADHGSA-N +HMDB0004974 783.658818829 "Glucosylceramide (d18:1/22:0)" C46H89NO8 YIGARKIIFOHVPF-CNUVFPMCSA-N +HMDB0004975 809.674468893 "Glucosylceramide (d18:1/24:1(15Z))" C48H91NO8 WBOZIXHPUPAOIA-JZZPSRGZSA-N +HMDB0004977 839.721419085 "Glucosylceramide (d18:1/26:0)" C50H97NO8 DOIOUJPHIXRQFM-WBOUPBNQSA-N +HMDB0004978 811.690118957 "Glucosylceramide (d18:1/24:0)" C48H93NO8 POQRWMRXUOPCLD-AAAFHMTMSA-N +HMDB0004979 825.705769021 "Glucosylceramide (d18:1/25:0)" C49H95NO8 RIGGIBNQNREJCL-ZVFXBQQRSA-N +HMDB0004987 261.132470733 Aspartyllysine C10H19N3O5 OAMLVOVXNKILLQ-BQBZGAKWSA-N +HMDB0004989 137.084063979 m-Tyramine C8H11NO GHFGJTVYMNRGBY-UHFFFAOYSA-N +HMDB0004995 299.152143543 Codeine C18H21NO3 OROGSEYTTFOCAN-DNJOTXNNSA-N +HMDB0005006 558.253000445 Atorvastatin C33H35FN2O5 XUKUURHRXDUEBC-KAYWLYCHSA-N +HMDB0005015 171.125928793 Gabapentin C9H17NO2 UGJMXCAKCUNAIE-UHFFFAOYSA-N +HMDB0005028 324.163791509 Escitalopram C20H21FN2O WSEQXVZVJXJVFP-FQEVSTJZSA-N +HMDB0005030 501.287908741 Fexofenadine C32H39NO4 RWTNPBWLLIMQHL-UHFFFAOYSA-N +HMDB0005056 302.151809192 Enterodiol C18H22O4 DWONJCNDULPHLV-HOTGVXAUSA-N +HMDB0005060 308.271530396 "Eicosadienoic acid" C20H36O2 XSXIVVZCUAHUJO-HZJYTTRNSA-N +HMDB0005065 425.350508997 Oleoylcarnitine C25H47NO4 IPOLTUVFXFHAHI-WHIOSMTNSA-N +HMDB0005066 371.303558805 Tetradecanoylcarnitine C21H41NO4 PSHXNVGSVNEJBD-LJQANCHMSA-N +HMDB0005189 650.60018174 CE(18:1(11Z)) C45H78O2 BNQAKMBVXYXXED-XZMNDPPTSA-N +HMDB0005199 179.094628665 (R)-Salsolinol C10H13NO2 IBRKLUSXDYATLG-UHFFFAOYSA-N +HMDB0005357 834.767641004 TG(16:0/16:0/18:0) C53H102O6 DQKMNCLZNGAXNX-DPDRHGIRSA-N +HMDB0005360 832.75199094 TG(16:0/16:0/18:1(9Z)) C53H100O6 YHMDGPZOSGBQRH-OIVKDUIRSA-N +HMDB0005365 862.798941133 TG(16:0/18:0/18:0) C55H106O6 SDNYRTVJOFMYIW-MPLRIKRWSA-N +HMDB0005367 860.783291069 TG(16:0/18:0/18:1(9Z)) C55H104O6 NPCZZYKITFKRQZ-GUSWDXMPSA-N +HMDB0005368 888.814591198 TG(16:0/18:0/20:1(11Z)) C57H108O6 AOSKWYIWKDMXST-SEDDCBKKSA-N +HMDB0005370 882.767641004 TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z)) C57H102O6 IBSUTTNKAUSOHR-WPQPACDXSA-N +HMDB0005372 916.845891326 TG(16:0/20:0/20:1(11Z)) C59H112O6 XRKBRKZCVJSDIQ-WOGGMIHASA-N +HMDB0005380 852.720690811 TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C55H96O6 BURBQZUNMNAKMA-RAKRAUFVSA-N +HMDB0005381 888.814591198 TG(16:0/18:1(9Z)/20:0) C57H108O6 YWKYRFUPKVVPAH-IBZYRLJDSA-N +HMDB0005382 858.767641004 TG(16:0/18:1(9Z)/18:1(9Z)) C55H102O6 JFISYPWOVQNHLS-HMOYFKASSA-N +HMDB0005384 856.75199094 TG(16:0/18:1(9Z)/18:2(9Z,12Z)) C55H100O6 KGLAHZTWGPHKFF-OCHJDYJZSA-N +HMDB0005385 880.75199094 TG(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C57H100O6 KKABVOCYVJCRKP-LFLUISAQSA-N +HMDB0005386 914.830241262 TG(16:0/20:1(11Z)/20:1(11Z)) C59H110O6 OJBGBKUEIBXOEG-HLWAOEQNSA-N +HMDB0005389 884.783291069 TG(16:0/18:2(9Z,12Z)/20:1(11Z)) C57H104O6 YZEDZPDPXZLZNB-ZWFWDJCYSA-N +HMDB0005393 890.830241252 TG(18:0/18:0/18:0) C57H110O6 DCXXMTOCNZCJGO-UHFFFAOYSA-N +HMDB0005394 918.861541391 TG(18:0/18:0/20:0) C59H114O6 JFGIMQPGGNOOHN-UWGNJQTFSA-N +HMDB0005395 888.814591198 TG(18:0/18:0/18:1(9Z)) C57H108O6 YFFIQXNTTVSKJC-JRTFMWKKSA-N +HMDB0005396 916.845891326 TG(18:0/18:0/20:1(11Z)) C59H112O6 XCJBYQXUCQJPCZ-YLMVGIRGSA-N +HMDB0005401 938.830241262 TG(18:0/20:0/20:4(5Z,8Z,11Z,14Z)) C61H110O6 CCKRHDUCFMOBKX-QZCMQHALSA-N +HMDB0005402 916.845891326 TG(18:0/18:1(9Z)/20:0) C59H112O6 OCYFAHIHWCVZKS-APPANRPNSA-N +HMDB0005404 914.830241262 TG(18:0/18:1(9Z)/20:1(11Z)) C59H110O6 OWMDNFFJJVRJMG-NPFPARCISA-N +HMDB0005405 884.783291069 TG(18:0/18:1(9Z)/18:2(9Z,12Z)) C57H104O6 CNGSOZKJBWHOEG-XSLCMLJKSA-N +HMDB0005407 942.861541391 TG(18:0/20:1(11Z)/20:1(11Z)) C61H114O6 AFFQVAIMWFYJJS-WSWCACAZSA-N +HMDB0005409 914.830241262 TG(18:0/18:2(9Z,12Z)/20:0) C59H110O6 PDEQUPGHMOMBFC-MYJCFCEBSA-N +HMDB0005411 882.767641004 TG(18:0/18:2(9Z,12Z)/18:2(9Z,12Z)) C57H102O6 PJHDLKOEJMDTBE-YWDBEOBSSA-N +HMDB0005415 972.908491584 TG(20:0/20:0/20:1(11Z)) C63H120O6 YNDXXWKSWMKVGO-UGLYWXKVSA-N +HMDB0005416 966.861541391 TG(20:0/20:0/20:4(5Z,8Z,11Z,14Z)) C63H114O6 PORGMKLTIBAGKT-OFOBRNGWSA-N +HMDB0005418 970.89284152 TG(20:0/20:1(11Z)/20:1(11Z)) C63H118O6 QPNVLDQSHXVPMG-XBDORNQTSA-N +HMDB0005419 964.845891326 TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C63H112O6 VRTWSWFWQKBUDP-ZWVRCNAISA-N +HMDB0005420 958.798941133 TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C63H106O6 ZZUYNPSYAPCHJT-YUPTWLKPSA-N +HMDB0005422 888.814591198 TG(16:1(9Z)/18:0/20:0) C57H108O6 UTGDZOIOODXGAH-XVDGJACESA-N +HMDB0005425 856.75199094 TG(16:1(9Z)/18:0/18:2(9Z,12Z)) C55H100O6 HLYOUKKBNQIMLH-WJGOVXLHSA-N +HMDB0005426 880.75199094 TG(16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z)) C57H100O6 ITWBZDOMDJKFCH-YDOBIKPESA-N +HMDB0005427 916.845891326 TG(16:1(9Z)/20:0/20:0) C59H112O6 KJVYOEKCDNOOAP-HDIOEILJSA-N +HMDB0005428 914.830241262 TG(16:1(9Z)/20:0/20:1(11Z)) C59H110O6 XOCUQHRPEPNSJE-VFBDGFDBSA-N +HMDB0005432 800.689390676 TG(16:1(9Z)/16:1(9Z)/16:1(9Z)) C51H92O6 SKGWNZXOCSYJQL-BUTYCLJRSA-N +HMDB0005434 856.75199094 TG(16:1(9Z)/16:1(9Z)/20:1(11Z)) C55H100O6 YCIPIGLQWOQUJK-GJRCKUEISA-N +HMDB0005435 826.705040747 TG(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z)) C53H94O6 PVMBAGXWHHZKFP-UMJFRGJPSA-N +HMDB0005438 856.75199094 TG(16:1(9Z)/18:1(9Z)/18:1(9Z)) C55H100O6 YBWITEZBUYUNFC-JZBMGIQCSA-N +HMDB0005439 884.783291069 TG(16:1(9Z)/18:1(9Z)/20:1(11Z)) C57H104O6 OVEMPQUFJMCLKI-XYSPBAOWSA-N +HMDB0005440 854.736340876 TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z)) C55H98O6 WHSWXEYWNPTUPW-JRKROUSYSA-N +HMDB0005444 884.783291069 TG(16:1(9Z)/18:2(9Z,12Z)/20:0) C57H104O6 MSQBYCWSXAUJHK-YNOLVQETSA-N +HMDB0005445 882.767641004 TG(16:1(9Z)/18:2(9Z,12Z)/20:1(11Z)) C57H102O6 SZYBCITYDACFEY-DPJFVPNFSA-N +HMDB0005446 852.720690811 TG(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C55H96O6 CQZAAIKPSLHIBC-CUQDGRJASA-N +HMDB0005448 900.720690811 TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C59H96O6 RXIRNQZZDMHWHR-QKSWABPTSA-N +HMDB0005450 942.861541391 TG(18:1(9Z)/20:0/20:1(11Z)) C61H114O6 QEBMDFMPVYJRFG-MAGLTKJYSA-N +HMDB0005452 914.830241262 TG(18:1(9Z)/18:1(9Z)/20:0) C59H110O6 JFKGKULDMWLHEK-REBZZEHGSA-N +HMDB0005454 912.814591198 TG(18:1(9Z)/18:1(9Z)/20:1(11Z)) C59H108O6 QXMHHXQBBKDSSL-QGDSHWIZSA-N +HMDB0005455 882.767641004 TG(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)) C57H102O6 JTMWOTXEVWLTTO-VYOWPWJFSA-N +HMDB0005457 940.845891326 TG(18:1(9Z)/20:1(11Z)/20:1(11Z)) C61H112O6 RFMSTHTUAZETPD-ONCGWXHTSA-N +HMDB0005460 910.798941133 TG(18:1(9Z)/18:2(9Z,12Z)/20:1(11Z)) C59H106O6 YONCDTJKIZDSKQ-UVIGLXQBSA-N +HMDB0005461 880.75199094 TG(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C57H100O6 VVEBTVMJPTZDHO-FVLXJHNRSA-N +HMDB0005464 968.877191444 TG(20:1(11Z)/20:1(11Z)/20:1(11Z)) C63H116O6 XKXYLRHFXANGHG-IUPFWZBJSA-N +HMDB0005465 962.830241262 TG(20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C63H110O6 GGNMBNAJWKYLBB-WODJHLBGSA-N +HMDB0005466 956.783291069 TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C63H104O6 BZPDQOHIKFKCEV-PDSJDQCGSA-N +HMDB0005467 942.861541391 TG(18:2(9Z,12Z)/20:0/20:0) C61H114O6 VYGDFJHLNCSFJZ-BBSNEIHHSA-N +HMDB0005468 940.845891326 TG(18:2(9Z,12Z)/20:0/20:1(11Z)) C61H112O6 WYUNJFXMLHILJN-PXGVGEJDSA-N +HMDB0005470 938.830241262 TG(18:2(9Z,12Z)/20:1(11Z)/20:1(11Z)) C61H110O6 OYDPSWDUKLRDNF-QAYHTBTLSA-N +HMDB0005474 878.736340868 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C57H98O6 HBOQXIRUPVQLKX-BBWANDEASA-N +HMDB0005476 926.736340876 TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C61H98O6 GXWBCAVCOMAOHT-JRBFJTAESA-N +HMDB0005781 284.068473486 Glycitein C16H12O5 DXYUAIFZCFRPTH-UHFFFAOYSA-N +HMDB0005782 302.07903818 Hesperetin C16H14O6 AIONOLUJZLIMTK-AWEZNQCLSA-N +HMDB0005784 154.062994186 Hydroxytyrosol C8H10O3 JUUBCHWRXWPFFH-UHFFFAOYSA-N +HMDB0005800 286.047738052 Luteolin C15H10O6 IQPNAANSBPBGFQ-UHFFFAOYSA-N +HMDB0005801 286.047738052 Kaempferol C15H10O6 IYRMWMYZSQPJKC-UHFFFAOYSA-N +HMDB0005806 136.125200515 Gamma-terpinene C10H16 YKFLAYDHMOASIY-UHFFFAOYSA-N +HMDB0005807 170.021523293 "Gallic acid" C7H6O5 LNTHITQWFMADLM-UHFFFAOYSA-N +HMDB0005810 288.063388116 Eriodictyol C15H12O6 SBHXYTNGIZCORC-ZDUSSCGKSA-N +HMDB0005812 154.1357652 Geraniol C10H18O GLZPCOQZEFWAFX-YFHOEESVSA-N +HMDB0005841 114.10446507 "Ethyl isobutyl ketone" C7H14O DXVYLFHTJZWTRF-UHFFFAOYSA-N +HMDB0005842 100.088815006 2-Oxohexane C6H12O QQZOPKMRPOGIEB-UHFFFAOYSA-N +HMDB0005843 99.014269855 "Allyl isothiocyanate" C4H5NS ZOJBYZNEUISWFT-UHFFFAOYSA-N +HMDB0005846 100.088815006 "Ethyl isopropyl ketone" C6H12O HYTRYEXINDDXJK-UHFFFAOYSA-N +HMDB0005879 93.991091572 Dimethyldisulfide C2H6S2 WQOXQRCZOLPYPM-UHFFFAOYSA-N +HMDB0005994 100.088815006 Hexanal C6H12O JARKCYVAAOWBJS-UHFFFAOYSA-N +HMDB0006006 74.073164942 Isobutanol C4H10O ZXEKIIBDNHEJCQ-UHFFFAOYSA-N +HMDB0006007 88.088815006 Isopentanol C5H12O PHTQWCKDNZKARW-UHFFFAOYSA-N +HMDB0006029 188.079706882 N-Acetylglutamine C7H12N2O4 KSMRODHGGIIXDV-UHFFFAOYSA-N +HMDB0006050 181.073893223 o-Tyrosine C9H11NO3 WRFPVMFCRNYQNR-UHFFFAOYSA-N +HMDB0006088 180.063388116 scyllo-Inositol C6H12O6 CDAISMWEOUEBRE-CDRYSYESSA-N +HMDB0006101 298.120509064 Enterolactone C18H18O4 HVDGDHBAMCBBLR-UHFFFAOYSA-N +HMDB0006115 106.041864814 Benzaldehyde C7H6O HUMNYLRZRPPJDN-UHFFFAOYSA-N +HMDB0006116 195.053157781 "3-Hydroxyhippuric acid" C9H9NO4 XDOFWFNMYJRHEW-UHFFFAOYSA-N +HMDB0006119 402.349780716 7b-Hydroxycholesterol C27H46O2 OYXZMSRRJOYLLO-KGZHIOMZSA-N +HMDB0006225 428.329045274 Ercalcitriol C28H44O3 ZGLHBRQAEXKACO-XJRQOBMKSA-N +HMDB0006236 120.057514878 Phenylacetaldehyde C8H8O DTUQWGWMVIHBKE-UHFFFAOYSA-N +HMDB0006248 218.090271568 gamma-Glutamylalanine C8H14N2O5 WQXXXVRAFAKQJM-WHFBIAKZSA-N +HMDB0006270 280.240230268 "Linoelaidic acid" C18H32O2 OYHQOLUKZRVURQ-AVQMFFATSA-N +HMDB0006317 397.319208869 "trans-Hexadec-2-enoyl carnitine" C23H43NO4 SOYNLLDADLOGAM-ISLYRVAYSA-N +HMDB0006327 424.334130652 Alpha-Tocotrienol C29H44O2 RZFHLOLGZPDCHJ-XZXLULOTSA-N +HMDB0006335 416.36543078 Beta-tocopherol C28H48O2 WGVKWNUPNGFDFJ-DQCZWYHMSA-N +HMDB0006344 264.11100701 Phenylacetylglutamine C13H16N2O4 JFLIEFSWGNOPJJ-JTQLQIEISA-N +HMDB0006409 217.040878535 Tyramine-O-sulfate C8H11NO4S DYDUXGMDSXJQFT-UHFFFAOYSA-N +HMDB0006464 425.350508997 "Elaidic carnitine" C25H47NO4 IPOLTUVFXFHAHI-OUKQBFOZSA-N +HMDB0006469 423.334858933 "Linoleyl carnitine" C25H45NO4 MJLXQSQYKZWZCB-DQFWFXSYSA-N +HMDB0006478 86.073164942 Iso-Valeraldehyde C5H10O YGHRJJRRZDOVPD-UHFFFAOYSA-N +HMDB0006483 133.037507717 "D-Aspartic acid" C4H7NO4 CKLJMWTZIZZHCS-UWTATZPHSA-N +HMDB0006509 102.128274517 "Nervonyl carnitine" C6H16N GSBKRFGXEJLVMI-UHFFFAOYSA-N +HMDB0006525 136.125200515 (+)-a-Pinene C10H16 GRWFGVWFFZKLTI-UHFFFAOYSA-N +HMDB0006528 330.255880332 "Docosapentaenoic acid (22n-3)" C22H34O2 YUFFSWGQGVEMMI-JLNKQSITSA-N +HMDB0006547 276.20893014 "Stearidonic acid" C18H28O2 JIWBIWFOSCKQMA-LTKCOYKYSA-N +HMDB0006580 999.364225123 Lacto-N-difucohexaose C38H65NO29 PSJVAGXZRSPYJB-UUXGNFCPSA-N +HMDB0006589 998.343824032 "Sialyllacto-N-tetraose a" C37H62N2O29 QUOQJNYANJQSDA-MHQSSNGYSA-N +HMDB0006594 1289.439240557 Disialyllacto-N-tetraose C48H79N3O37 FCIROHDMPFOSFG-LAVSNGQLSA-N +HMDB0006600 998.343824032 "Sialyllacto-N-tetraose b" C37H62N2O29 SFMRPVLZMVJKGZ-JRZQLMJNSA-N +HMDB0006602 1072.380603468 Lacto-N-hexaose C40H68N2O31 ZDZMLVPSYYRJNI-VHFVHBOSSA-N +HMDB0006631 998.343824032 "Sialyllacto-N-tetraose c" C37H62N2O29 SXMGGNXBTZBGLU-UHFFFAOYSA-N +HMDB0006643 1218.438512276 Lacto-N-fucoheptaose C46H78N2O35 DUUXDOCGEHMZIH-UHFFFAOYSA-N +HMDB0006694 1364.496421084 Difucosyllacto-N-hexaose C52H88N2O39 SUSQQDGHFAOUBW-PVLJGHBYSA-N +HMDB0006707 794.621311112 "Coenzyme Q9" C54H82O4 UUGXJSBPSRROMU-WJNLUYJISA-N +HMDB0006737 704.647131932 CE(22:2(13Z,16Z)) C49H84O2 YSGVSTJGBYXXIM-OVUVNFMNSA-N +HMDB0006750 861.617741875 "Lactosylceramide (d18:1/16:0)" C46H87NO13 HLIJNIKSBCIDGO-QKLMXXKVSA-N +HMDB0006756 346.214409448 21-Hydroxy-5b-pregnane-3,11,20-trione C21H30O4 ZDUVZJUTJOBJHS-HNEBDTNWSA-N +HMDB0006809 256.082112185 "Nicotinate D-ribonucleoside" C11H14NO6 PUEDDPCUCPRQNY-ZYUZMQFOSA-O +HMDB0006899 146.069142196 Alanylglycine C5H10N2O3 CXISPYVYMQWFLE-UHFFFAOYSA-N +HMDB0006961 74.036779436 Hydroxyacetone C3H6O2 XLSMFKSTNGKWQX-UHFFFAOYSA-N +HMDB0007014 566.491025222 DG(14:0/18:1(11Z)/0:0) C35H66O5 XITYIRJXXQNQKT-ZWOXTJJBSA-N +HMDB0007015 566.491025222 DG(14:0/18:1(9Z)/0:0) C35H66O5 XEQQGHISHUGMIP-ASUORMEESA-N +HMDB0007016 564.475375158 DG(14:0/18:2(9Z,12Z)/0:0) C35H64O5 WVBVUWWRPSWGDS-JWVBYZEHSA-N +HMDB0007032 614.491025222 DG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C39H66O5 ILUYFTWKNLJHOS-BJTCJBOMSA-N +HMDB0007033 614.491025222 DG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C39H66O5 UNAUUXGPAPFTQK-MTCOIHPXSA-N +HMDB0007034 612.475375158 DG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C39H64O5 FRUADKDVYOLUEU-RWYVPCEMSA-N +HMDB0007060 614.491025222 DG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C39H66O5 PVIFENQCGOXOHK-ADJKREHHSA-N +HMDB0007061 612.475375158 DG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C39H64O5 VJQIPMXNHWLHEJ-WCNLUZKGSA-N +HMDB0007062 612.475375158 DG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C39H64O5 QSZQNXRKRGRBGH-ABHQEDCTSA-N +HMDB0007079 608.537975414 DG(15:0/20:1(11Z)/0:0) C38H72O5 DICYCLUXEYFAQX-ORMHLZIJSA-N +HMDB0007099 566.491025222 DG(16:0/16:1(9Z)/0:0) C35H66O5 ADLOEVQMJKYKSR-YAIMUBSCSA-N +HMDB0007101 594.52232535 DG(16:0/18:1(11Z)/0:0) C37H70O5 IIEPDWHEGOSXLD-NMYQGLQJSA-N +HMDB0007102 594.52232535 DG(16:0/18:1(9Z)/0:0) C37H70O5 YEJYLHKQOBOSCP-OZKTZCCCSA-N +HMDB0007103 592.506675286 DG(16:0/18:2(9Z,12Z)/0:0) C37H68O5 SVXWJFFKLMLOHO-YAIZGCQRSA-N +HMDB0007114 614.491025222 DG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C39H66O5 WLYFADQAJKNNQG-DEWGQWFUSA-N +HMDB0007141 614.491025222 DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C39H66O5 IVRNQYIPGILFPZ-SEKRGLSRSA-N +HMDB0007142 614.491025222 DG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C39H66O5 CMBHKSKRJUUOQH-YGFCVJAISA-N +HMDB0007143 612.475375158 DG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C39H64O5 MUYDIVLBRBWUDW-JCIONVESSA-N +HMDB0007175 676.60057567 DG(18:0/22:2(13Z,16Z)/0:0) C43H80O5 CPEWURNZWJEDDC-CMFLVMKTSA-N +HMDB0007177 670.553625478 DG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C43H74O5 LTTZSZYLXABAOL-PYZFZJQXSA-N +HMDB0007178 670.553625478 DG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C43H74O5 JDCKQBKHWBEMSZ-QYYXEFEZSA-N +HMDB0007179 668.537975414 DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C43H72O5 LBDXVTOFXXDOGH-KXYFHQNYSA-N +HMDB0007187 622.553625478 DG(18:1(11Z)/18:0/0:0) C39H74O5 FENDTVWNLRYBGG-SFVGVZPYSA-N +HMDB0007188 620.537975414 DG(18:1(11Z)/18:1(11Z)/0:0) C39H72O5 JQTCHIYVEDEVBR-ZHDGQSQGSA-N +HMDB0007189 620.537975414 DG(18:1(11Z)/18:1(9Z)/0:0) C39H72O5 SRHKYLVXCXLCRK-NZSGFQRZSA-N +HMDB0007193 614.491025222 DG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C39H66O5 RJZXOVDQLWQIPM-MUYODOAPSA-N +HMDB0007199 642.52232535 DG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C41H70O5 UUDOMEYLXRMHOC-FXHMYPJMSA-N +HMDB0007200 642.52232535 DG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C41H70O5 SISOTSHTWKLHSX-TZVDTISPSA-N +HMDB0007201 640.506675286 DG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C41H68O5 VOMWZIOQFOWIQI-MKRDPDFLSA-N +HMDB0007205 670.553625478 DG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C43H74O5 NKDHOYXNDMODDX-YBHIYYQISA-N +HMDB0007206 668.537975414 DG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C43H72O5 YJHQVQIVRKJNNG-YPKFTTCHSA-N +HMDB0007207 668.537975414 DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C43H72O5 ZEMYNAGHMFXKOF-VTNHKWKHSA-N +HMDB0007208 666.52232535 DG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C43H70O5 CVSMXWVJFQUQJK-YMCYZELXSA-N +HMDB0007216 622.553625478 DG(18:1(9Z)/18:0/0:0) C39H74O5 QFAYEXQEVKDUJW-DGZCRLAFSA-N +HMDB0007217 620.537975414 DG(18:1(9Z)/18:1(11Z)/0:0) C39H72O5 REOLZUSWSABFNR-ZLQCVYQCSA-N +HMDB0007218 620.537975414 DG(18:1(9Z)/18:1(9Z)/0:0) C39H72O5 AFSHUZFNMVJNKX-LLWMBOQKSA-N +HMDB0007222 614.491025222 DG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C39H66O5 ORIYBZMGTOPMPK-ARWGWEKXSA-N +HMDB0007228 642.52232535 DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C41H70O5 LWXLWRXRJKMNLM-GOZUYJTOSA-N +HMDB0007229 642.52232535 DG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C41H70O5 CDIDDLXSXXDECX-YGTYKICOSA-N +HMDB0007230 640.506675286 DG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C41H68O5 JLJZWBKQVKCOJP-GZAZVFSZSA-N +HMDB0007234 670.553625478 DG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C43H74O5 XLFXOFMAQPNCDB-IATQTFTGSA-N +HMDB0007235 668.537975414 DG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C43H72O5 ZSUNRJOJJXRACA-PYQPTFFQSA-N +HMDB0007236 668.537975414 DG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C43H72O5 OPNGKSOAWMNPIR-YZBXQAENSA-N +HMDB0007237 666.52232535 DG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C43H70O5 ZILMKERHGSKQBG-PNCFOYGISA-N +HMDB0007246 618.52232535 DG(18:2(9Z,12Z)/18:1(11Z)/0:0) C39H70O5 YNIJMKWVLKABRN-TWDSNVLRSA-N +HMDB0007247 618.52232535 DG(18:2(9Z,12Z)/18:1(9Z)/0:0) C39H70O5 FQNNBQJKEBDPQS-QPNAJOTBSA-N +HMDB0007248 616.506675286 DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0) C39H68O5 MQGBAQLIFKSMEM-ZHARMHCNSA-N +HMDB0007249 614.491025222 DG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0) C39H66O5 ZDBLXLQFRZTIIU-ZEYSAPHZSA-N +HMDB0007250 614.491025222 DG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/0:0) C39H66O5 PGXBELQFNRPKBC-WBVIKXMWSA-N +HMDB0007251 612.475375158 DG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C39H64O5 BYLXXZYUDXCZFN-YQRUEVQWSA-N +HMDB0007257 640.506675286 DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C41H68O5 KRECEGQUDDMNAQ-MYBRWWDOSA-N +HMDB0007258 640.506675286 DG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C41H68O5 XQKXAZZSUMABAU-HKOSRXLCSA-N +HMDB0007263 668.537975414 DG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C43H72O5 REWOPMLGNOGDCI-IUTJGAPQSA-N +HMDB0007277 614.491025222 DG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/0:0) C39H66O5 NEYUIEVYOYUWGW-AGNGCCSQSA-N +HMDB0007278 612.475375158 DG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/0:0) C39H64O5 JVRVKOOOXHGJKI-ITLZUPGPSA-N +HMDB0007279 612.475375158 DG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/0:0) C39H64O5 OGEVDGPPHTZMPM-BSKUQPOYSA-N +HMDB0007291 670.553625478 DG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/0:0) C43H74O5 RTZSIOQKPJZTKI-FZDCKXQYSA-N +HMDB0007306 614.491025222 DG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/0:0) C39H66O5 JLNOLJTYJZCGLK-XSZFGFPMSA-N +HMDB0007307 612.475375158 DG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/0:0) C39H64O5 QBTJRRWTWAXKSO-UKPISMAMSA-N +HMDB0007308 612.475375158 DG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/0:0) C39H64O5 RAPBJBKXYYMYAY-CGENZCGBSA-N +HMDB0007320 670.553625478 DG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/0:0) C43H74O5 BNNRAXXNNFEFAX-KUSRJDHNSA-N +HMDB0007333 614.491025222 DG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/0:0) C39H66O5 QFHXBFXVSWPVCA-JRRRHNQSSA-N +HMDB0007334 614.491025222 DG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/0:0) C39H66O5 XCLMBBCBHPZMPV-ONZYHZSESA-N +HMDB0007335 612.475375158 DG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/0:0) C39H64O5 QSEJQXZIIUGBTF-PXHWHCHQSA-N +HMDB0007348 670.553625478 DG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/0:0) C43H74O5 MLKOWSFMVFMITR-UQJNFHCUSA-N +HMDB0007349 668.537975414 DG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/0:0) C43H72O5 FUDGZBMOORLTCG-FCDTXGFCSA-N +HMDB0007375 670.553625478 DG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C43H74O5 QEOYMVJQPHELJB-YXHLBBQNSA-N +HMDB0007402 670.553625478 DG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C43H74O5 NSVJKGBXOPSAKL-XZUVHLGKSA-N +HMDB0007403 670.553625478 DG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C43H74O5 ADQHTXPTSHXNKF-ZOXQJHRNSA-N +HMDB0007404 668.537975414 DG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C43H72O5 KXSTZGDSFQAWPR-KFALEISNSA-N +HMDB0007429 670.553625478 DG(20:2(11Z,14Z)/20:3(5Z,8Z,11Z)/0:0) C43H74O5 SPGHLBKMJHHORH-XASTUVSNSA-N +HMDB0007430 670.553625478 DG(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)/0:0) C43H74O5 LQWVDOZRCDULIP-FFNILDJDSA-N +HMDB0007431 668.537975414 DG(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C43H72O5 XWQMGVSLXBIWRI-SXIWVUKCSA-N +HMDB0007432 668.537975414 DG(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C43H72O5 PXRRYGSMQCZOCW-CRZFWNKOSA-N +HMDB0007457 670.553625478 DG(20:3(5Z,8Z,11Z)/20:2(11Z,14Z)/0:0) C43H74O5 VSVITRIWEUGRGY-BGPGRTOXSA-N +HMDB0007458 668.537975414 DG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/0:0) C43H72O5 VIGULOPHPJPIAO-XIUQCZDVSA-N +HMDB0007459 668.537975414 DG(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)/0:0) C43H72O5 CUMKGQFYKIGEIE-SKHAEIFUSA-N +HMDB0007486 670.553625478 DG(20:3(8Z,11Z,14Z)/20:2(11Z,14Z)/0:0) C43H74O5 HHXZEPDSGFSCPJ-MXAZPZDMSA-N +HMDB0007487 668.537975414 DG(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/0:0) C43H72O5 LFSURXDQRGYOPC-PWCDXBRGSA-N +HMDB0007488 668.537975414 DG(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/0:0) C43H72O5 KQIYTEYFXBGLOT-MDOXXFDXSA-N +HMDB0007505 614.491025222 DG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/0:0) C39H66O5 IOKHFYXUAVQDTI-JUVVOIJLSA-N +HMDB0007514 670.553625478 DG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/0:0) C43H74O5 BTSLGWIGCLOQRX-NDSSCVKOSA-N +HMDB0007515 668.537975414 DG(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)/0:0) C43H72O5 KWNSFYWJPQIBQL-SZDMVCCJSA-N +HMDB0007534 614.491025222 DG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/0:0) C39H66O5 ZNGGGMQOPKOZLZ-YGFCVJAISA-N +HMDB0007543 670.553625478 DG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/0:0) C43H74O5 UCEIHNHHMYDTNZ-GHHPGRLNSA-N +HMDB0007544 668.537975414 DG(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z)/0:0) C43H72O5 CMOADEJDYGMJFA-WUIAEINNSA-N +HMDB0007562 614.491025222 DG(20:5(5Z,8Z,11Z,14Z,17Z)/16:0/0:0) C39H66O5 NXYFOPFKIDKTMC-MISHMQECSA-N +HMDB0007563 612.475375158 DG(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)/0:0) C39H64O5 CQHRDRZMSJCJBX-JTQUUNRESA-N +HMDB0007571 670.553625478 DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0/0:0) C43H74O5 RIRRWYKZEDZUDS-XHJGARTISA-N +HMDB0007572 668.537975414 DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)/0:0) C43H72O5 HPTHPDWEVHVEGM-GJSVQJKPSA-N +HMDB0007628 670.553625478 DG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C43H74O5 BXPLJLDIGVRTRM-YARBERQDSA-N +HMDB0007655 670.553625478 DG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/0:0) C43H74O5 RQWLSMTYYCMIJQ-GHKLHFTNSA-N +HMDB0007656 670.553625478 DG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/0:0) C43H74O5 KVDLGXAZPYNPJG-KUSRJDHNSA-N +HMDB0007657 668.537975414 DG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C43H72O5 IJQJNLWIGQWLKJ-DOIMQTEOSA-N +HMDB0007676 614.491025222 DG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/0:0) C39H66O5 XFHLWLAUVLOPFQ-ADJKREHHSA-N +HMDB0007681 670.553625478 DG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/0:0) C43H74O5 FCHJOJAVIATUSR-LPUGRBTCSA-N +HMDB0007682 670.553625478 DG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/0:0) C43H74O5 UWHGFSHXNNIITD-PJPPLWEJSA-N +HMDB0007683 668.537975414 DG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/0:0) C43H72O5 PAEBSLIJYHGPGF-QBNBIVAASA-N +HMDB0007704 614.491025222 DG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/0:0) C39H66O5 VQVOIPHXRHXGBT-VZVMZLABSA-N +HMDB0007705 612.475375158 DG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/0:0) C39H64O5 YDNAPGXYBAGJKV-VXKKMQCUSA-N +HMDB0007709 670.553625478 DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/0:0) C43H74O5 PXCOILRYJJUSSX-UEJLDPQRSA-N +HMDB0007710 668.537975414 DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/0:0) C43H72O5 VMCYQHGROWEMCZ-AWRAWGKASA-N +HMDB0007711 668.537975414 DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/0:0) C43H72O5 NNQANODPBJKCJM-OOERVMSXSA-N +HMDB0007733 614.491025222 DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:0/0:0) C39H66O5 ZVROWTOTBSWALZ-MTCOIHPXSA-N +HMDB0007734 612.475375158 DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/0:0) C39H64O5 XJELJGCMEUSYKS-ABHQEDCTSA-N +HMDB0007738 670.553625478 DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/0:0) C43H74O5 RMUBRZSHPSLPPN-KHQAGVLASA-N +HMDB0007739 668.537975414 DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/0:0) C43H72O5 OAUHLSFRFTZERV-OEMUPAMISA-N +HMDB0007740 668.537975414 DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/0:0) C43H72O5 GECUAKBGRVJUJU-GRVHNFGUSA-N +HMDB0007762 612.475375158 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0/0:0) C39H64O5 LLOBOJAKMZHEKH-GVYMSAMVSA-N +HMDB0007767 668.537975414 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/0:0) C43H72O5 FEIXBHFPDYRMBE-ATZSXMIDSA-N +HMDB0007788 712.506675286 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C47H68O5 XIAZEYRSKHAPND-CYDJSWNTSA-N +HMDB0007847 790.741426246 DG(24:1(15Z)/24:0/0:0) C51H98O5 YUFFMVIZZQIBPN-GBCBJHACSA-N +HMDB0007848 788.725776182 DG(24:1(15Z)/24:1(15Z)/0:0) C51H96O5 SOWAPPIVBQCDGN-BTOFNRAGSA-N +HMDB0007849 410.243340114 LysoPA(0:0/16:0) C19H39O7P LPQBQFLKBCPNAV-UHFFFAOYSA-N +HMDB0007850 438.274640242 LysoPA(0:0/18:0) C21H43O7P RPAOEHFOGLEBTJ-UHFFFAOYSA-N +HMDB0007853 410.243340114 LysoPA(16:0/0:0) C19H39O7P YNDYKPRNFWPPFU-UHFFFAOYSA-N +HMDB0007854 438.274640723 LysoPA(18:0/0:0) C21H43O7P LAYXSTYJRSVXIH-UHFFFAOYSA-N +HMDB0007856 434.243340594 LysoPA(18:2(9Z,12Z)/0:0) C21H39O7P ZQTAMPRZFOOEEP-HZJYTTRNSA-N +HMDB0007869 705.530854925 PC(14:0/16:0) C38H76NO8P RFVFQQWKPSOBED-PSXMRANNSA-N +HMDB0007872 731.546504989 PC(14:0/18:1(11Z)) C40H78NO8P GMJKBBMXRYZKEP-WYRBGLKBSA-N +HMDB0007873 731.546504989 PC(14:0/18:1(9Z)) C40H78NO8P NXASLICYTANYBI-OQHNRNOKSA-N +HMDB0007874 729.530854925 PC(14:0/18:2(9Z,12Z)) C40H76NO8P IWXJKHSPEQSQMD-GMGFYYQASA-N +HMDB0007875 727.515204861 PC(14:0/18:3(6Z,9Z,12Z)) C40H74NO8P VZQRMZUULSWEHB-XCFXQIAYSA-N +HMDB0007876 727.515204861 PC(14:0/18:3(9Z,12Z,15Z)) C40H74NO8P AGQKQQAJRFTOGL-XPTMXNASSA-N +HMDB0007877 725.499554797 PC(14:0/18:4(6Z,9Z,12Z,15Z)) C40H72NO8P SZQBOFQJPDNGHN-HTICVQCJSA-N +HMDB0007879 759.577805117 PC(14:0/20:1(11Z)) C42H82NO8P DMEBDXIQFIKNQR-OIJJMQLXSA-N +HMDB0007880 757.562155053 PC(14:0/20:2(11Z,14Z)) C42H80NO8P IRYMXEVDAKMFIF-YBLKGUNISA-N +HMDB0007881 755.546504989 PC(14:0/20:3(5Z,8Z,11Z)) C42H78NO8P XWHIBISICRMDDW-ZLBNXBDKSA-N +HMDB0007882 755.546504989 PC(14:0/20:3(8Z,11Z,14Z)) C42H78NO8P ZAUFLMLTXNKVAB-AFYHZPHLSA-N +HMDB0007883 753.530854925 PC(14:0/20:4(5Z,8Z,11Z,14Z)) C42H76NO8P SRQSAJRUMDQMMS-NLDJLLEISA-N +HMDB0007884 753.530854925 PC(14:0/20:4(8Z,11Z,14Z,17Z)) C42H76NO8P BXZPYXMUABUWBT-JAHIUHDMSA-N +HMDB0007886 789.624755309 PC(14:0/22:0) C44H88NO8P KNQNJCODLDRFSM-HUESYALOSA-N +HMDB0007887 787.609105245 PC(14:0/22:1(13Z)) C44H86NO8P LOVKBDFNFACEND-HSEDGGQWSA-N +HMDB0007888 785.593455181 PC(14:0/22:2(13Z,16Z)) C44H84NO8P BRAPXNOAYHMWEX-JHHJWKSXSA-N +HMDB0007889 781.562155053 PC(14:0/22:4(7Z,10Z,13Z,16Z)) C44H80NO8P UDOCLKXJVMJFLD-CCHOKCMJSA-N +HMDB0007890 779.546504989 PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)) C44H78NO8P MGUTYWPZCZBAGE-JZDIRDTQSA-N +HMDB0007891 779.546504989 PC(14:0/22:5(7Z,10Z,13Z,16Z,19Z)) C44H78NO8P SFEMWZZGMMRGCX-DYPKKMQZSA-N +HMDB0007892 777.530854925 PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C44H76NO8P HAIPHKFLSXSDAN-BLOCXYQCSA-N +HMDB0007893 817.656055437 PC(14:0/24:0) C46H92NO8P HZKNKWPYIHKKKL-USYZEHPZSA-N +HMDB0007894 815.640405373 PC(14:0/24:1(15Z)) C46H90NO8P GIPZQCAVEQRWOM-IKJFKDIMSA-N +HMDB0007895 689.535940303 PC(14:0/P-16:0) C38H76NO7P JCYQQPUPIWZLSG-MEIHLTSWSA-N +HMDB0007897 715.551590367 PC(14:0/P-18:1(11Z)) C40H78NO7P YRMZQKFOVROEJO-NKTXNVSESA-N +HMDB0007898 715.551590367 PC(14:0/P-18:1(9Z)) C40H78NO7P JWHYYJPWODHUBX-FWMFHLHFSA-N +HMDB0007899 675.483904733 PC(14:1(9Z)/14:0) C36H70NO8P XQPYHFHTTVXZKL-XBEBLRSGSA-N +HMDB0007903 701.499554797 PC(14:1(9Z)/16:1(9Z)) C38H72NO8P RUTXZOOOUKHIRR-KQGJYXFZSA-N +HMDB0007904 731.546504989 PC(14:1(9Z)/18:0) C40H78NO8P USMRUWLOXQOAAX-IUXSEFJDSA-N +HMDB0007905 729.530854925 PC(14:1(9Z)/18:1(11Z)) C40H76NO8P QNWUSMHOBHFMNS-MIXVWNHBSA-N +HMDB0007906 729.530854925 PC(14:1(9Z)/18:1(9Z)) C40H76NO8P KFGSHFVDCHWRGE-LULHKCDZSA-N +HMDB0007907 727.515204861 PC(14:1(9Z)/18:2(9Z,12Z)) C40H74NO8P FLXFESILEUFIBE-SHAXIEEXSA-N +HMDB0007908 725.499554797 PC(14:1(9Z)/18:3(6Z,9Z,12Z)) C40H72NO8P MVGBUJJTKGIFFM-OTEGYGNMSA-N +HMDB0007909 725.499554797 PC(14:1(9Z)/18:3(9Z,12Z,15Z)) C40H72NO8P BPBWECRGAITUAO-RPHNJZPISA-N +HMDB0007911 759.577805117 PC(14:1(9Z)/20:0) C42H82NO8P SJLGFZBXPQKJIH-LLVYEJTBSA-N +HMDB0007912 757.562155053 PC(14:1(9Z)/20:1(11Z)) C42H80NO8P OLUKQTJCNPHKRC-LYJZGNKWSA-N +HMDB0007913 755.546504989 PC(14:1(9Z)/20:2(11Z,14Z)) C42H78NO8P KBHCBANQRIOXLD-FRPVHTQQSA-N +HMDB0007914 753.530854925 PC(14:1(9Z)/20:3(5Z,8Z,11Z)) C42H76NO8P PONMSDSBSOWGHR-DKHJBHHKSA-N +HMDB0007915 753.530854925 PC(14:1(9Z)/20:3(8Z,11Z,14Z)) C42H76NO8P MGHZJKXUBUUNJR-PCBJBAEXSA-N +HMDB0007919 787.609105245 PC(14:1(9Z)/22:0) C44H86NO8P OSTGKIDWKPXCRQ-FASREOMLSA-N +HMDB0007920 785.593455181 PC(14:1(9Z)/22:1(13Z)) 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PC(18:1(11Z)/P-18:1(11Z)) C44H84NO7P STUDWKIRLPDNHV-RIWLRQSZSA-N +HMDB0008096 769.598540559 PC(18:1(11Z)/P-18:1(9Z)) C44H84NO7P JAVZDEIBGKQDCN-VRKRHMBPSA-N +HMDB0008097 731.546504989 PC(18:1(9Z)/14:0) C40H78NO8P KIVAJCJTVPWSRJ-OQHNRNOKSA-N +HMDB0008098 729.530854925 PC(18:1(9Z)/14:1(9Z)) C40H76NO8P VYABGHZPSJWGOZ-LULHKCDZSA-N +HMDB0008100 759.577805117 PC(18:1(9Z)/16:0) C42H82NO8P RRVPPYNAZJRZFR-VYOBOKEXSA-N +HMDB0008101 757.562155053 PC(18:1(9Z)/16:1(9Z)) C42H80NO8P QJZAWHQVXYMEQR-RWGOWQMXSA-N +HMDB0008102 787.609105245 PC(18:1(9Z)/18:0) C44H86NO8P NMJCSTNQFYPVOR-VHONOUADSA-N +HMDB0008103 785.593455181 PC(18:1(9Z)/18:1(11Z)) C44H84NO8P GMCZAOACLPIWHN-VZDDXLEPSA-N +HMDB0008105 783.577805117 PC(18:1(9Z)/18:2(9Z,12Z)) C44H82NO8P GDWULUGDXGHJIJ-VJHNMZKJSA-N +HMDB0008106 781.562155053 PC(18:1(9Z)/18:3(6Z,9Z,12Z)) C44H80NO8P KATPUHPZOZWFBR-ZBFGQIGBSA-N +HMDB0008107 781.562155053 PC(18:1(9Z)/18:3(9Z,12Z,15Z)) C44H80NO8P FVQGNFUBHWGFCY-HJOYQDMMSA-N +HMDB0008108 779.546504989 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PC(18:2(9Z,12Z)/14:1(9Z)) C40H74NO8P MEEAGHVLDDTFHZ-SHAXIEEXSA-N +HMDB0008133 757.562155053 PC(18:2(9Z,12Z)/16:0) C42H80NO8P FWMYJLDHIVCJCT-ZTIMHPMXSA-N +HMDB0008134 755.546504989 PC(18:2(9Z,12Z)/16:1(9Z)) C42H78NO8P PPCVNZFMCABQCL-KXESGEQTSA-N +HMDB0008135 785.593455181 PC(18:2(9Z,12Z)/18:0) C44H84NO8P DZPKSVTWWIZUMS-FPUNCOTOSA-N +HMDB0008136 783.577805117 PC(18:2(9Z,12Z)/18:1(11Z)) C44H82NO8P YPAZQMWFRMHBBM-CLKMJQEKSA-N +HMDB0008137 783.577805117 PC(18:2(9Z,12Z)/18:1(9Z)) C44H82NO8P RTAZWRZKFSTMOY-NMSVECGZSA-N +HMDB0008138 781.562155053 PC(18:2(9Z,12Z)/18:2(9Z,12Z)) C44H80NO8P FVXDQWZBHIXIEJ-LNDKUQBDSA-N +HMDB0008139 807.577805117 PC(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)) C46H82NO8P DCJXJVWGBOCAHZ-UZVREBQPSA-N +HMDB0008140 779.546504989 PC(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) C44H78NO8P ZYUVFKWRZDKQNL-YHOYFWGCSA-N +HMDB0008141 779.546504989 PC(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) C44H78NO8P HZGAVPNEGHQJID-UNBCHYIMSA-N +HMDB0008142 777.530854925 PC(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) C44H76NO8P 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783.577805117 PC(18:3(9Z,12Z,15Z)/18:0) C44H82NO8P QAVRIJZWHPNXBW-BHLPDSGJSA-N +HMDB0008202 781.562155053 PC(18:3(9Z,12Z,15Z)/18:1(11Z)) C44H80NO8P AHEPKIJTHGCAOA-KEPRVZTLSA-N +HMDB0008203 781.562155053 PC(18:3(9Z,12Z,15Z)/18:1(9Z)) C44H80NO8P LPDGUCIMNBNWEJ-BXZVQSHESA-N +HMDB0008204 779.546504989 PC(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) C44H78NO8P QFDYIDGUKXRPKH-VSLGLSMXSA-N +HMDB0008205 777.530854925 PC(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) C44H76NO8P SPWBDEZMKCRQSX-NGPPOSSDSA-N +HMDB0008206 777.530854925 PC(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) C44H76NO8P XXKFQTJOJZELMD-JICBSJGISA-N +HMDB0008208 811.609105245 PC(18:3(9Z,12Z,15Z)/20:0) C46H86NO8P CFHMUBPSPSTZCR-LITWNLNFSA-N +HMDB0008209 809.593455181 PC(18:3(9Z,12Z,15Z)/20:1(11Z)) C46H84NO8P WAZYDHAWJWFGBD-LMJTUUMUSA-N +HMDB0008210 807.577805117 PC(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)) C46H82NO8P WQYONUAQJUQROT-HTEBOPLQSA-N +HMDB0008211 805.562155053 PC(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)) C46H80NO8P STOQKWQLRLMJRQ-MAGOUTJKSA-N +HMDB0008212 805.562155053 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825.661140815 PC(22:1(13Z)/P-18:1(11Z)) C48H92NO7P VJMHNWXIJKHKHT-GYTYNKKYSA-N +HMDB0008589 825.661140815 PC(22:1(13Z)/P-18:1(9Z)) C48H92NO7P JLVZEZTUUWTBQT-FZHXXZEZSA-N +HMDB0008590 785.593455181 PC(22:2(13Z,16Z)/14:0) C44H84NO8P POKOLAWNECNRHW-JHHJWKSXSA-N +HMDB0008591 783.577805117 PC(22:2(13Z,16Z)/14:1(9Z)) C44H82NO8P AHJIOIOFNHUXKJ-GXAHKNHCSA-N +HMDB0008594 811.609105245 PC(22:2(13Z,16Z)/16:1(9Z)) C46H86NO8P GEAKOUDHDIZJPQ-UTIGHQPQSA-N +HMDB0008595 841.656055437 PC(22:2(13Z,16Z)/18:0) C48H92NO8P LAXKISCJOCARCS-SZAAGBBJSA-N +HMDB0008596 839.640405373 PC(22:2(13Z,16Z)/18:1(11Z)) C48H90NO8P JEEDOLIAMMVOTO-IMLSBYECSA-N +HMDB0008597 839.640405373 PC(22:2(13Z,16Z)/18:1(9Z)) C48H90NO8P GQOYHJFWEIXIGI-LJUWQHBFSA-N +HMDB0008598 837.624755309 PC(22:2(13Z,16Z)/18:2(9Z,12Z)) C48H88NO8P QQIYXJBHMDYXHH-NMUBDWGHSA-N +HMDB0008599 835.609105245 PC(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)) C48H86NO8P GBWKGOXLSQQBGD-SRIFCXCDSA-N +HMDB0008600 835.609105245 PC(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)) C48H86NO8P MNLODOXUTCKZPS-KCLVDFFQSA-N +HMDB0008601 833.593455181 PC(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C48H84NO8P KZSXWBSDQDXESU-PPEVQBTRSA-N +HMDB0008602 869.687355565 PC(22:2(13Z,16Z)/20:0) C50H96NO8P UGLJQXWXHNGVFA-NWFGWYPUSA-N +HMDB0008604 865.656055437 PC(22:2(13Z,16Z)/20:2(11Z,14Z)) C50H92NO8P AGTWPYRVVNKJKX-OARALLPOSA-N +HMDB0008605 863.640405373 PC(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)) C50H90NO8P SNCHHPIAZMAWKH-HLFKTMQUSA-N +HMDB0008606 863.640405373 PC(22:2(13Z,16Z)/20:3(8Z,11Z,14Z)) C50H90NO8P APYSSUSAYQRESE-VZWUYPTESA-N +HMDB0008607 861.624755309 PC(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C50H88NO8P QLSMAUYBTKZUQV-DDABTYNPSA-N +HMDB0008608 861.624755309 PC(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C50H88NO8P MADJLPBRDFZQHG-JNOHOMDFSA-N +HMDB0008620 825.661140815 PC(22:2(13Z,16Z)/P-18:0) C48H92NO7P WTPAHBSLQUJOMF-DJBJHQTKSA-N +HMDB0008621 823.645490751 PC(22:2(13Z,16Z)/P-18:1(11Z)) C48H90NO7P MWEZXEFKBKZJCZ-ARPDTERPSA-N +HMDB0008622 823.645490751 PC(22:2(13Z,16Z)/P-18:1(9Z)) C48H90NO7P ZDVKWGVDIXWINA-CLDXNVIQSA-N +HMDB0008623 781.562155053 PC(22:4(7Z,10Z,13Z,16Z)/14:0) C44H80NO8P FHBLNLYBVANDFG-CCHOKCMJSA-N +HMDB0008624 779.546504989 PC(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)) C44H78NO8P UJZMLLMWTJZZJX-WPNBCRARSA-N +HMDB0008626 809.593455181 PC(22:4(7Z,10Z,13Z,16Z)/16:0) C46H84NO8P LKZIWAABXRQNGG-JAYRDFRFSA-N +HMDB0008627 807.577805117 PC(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)) C46H82NO8P STHWQCYHQJBDDB-SYONOARRSA-N +HMDB0008628 837.624755309 PC(22:4(7Z,10Z,13Z,16Z)/18:0) C48H88NO8P YVFBVKJWPMCQQG-NRICRUJBSA-N +HMDB0008629 835.609105245 PC(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)) C48H86NO8P JJGXBUHPKPRTOF-DPOPDSRASA-N +HMDB0008630 835.609105245 PC(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)) C48H86NO8P HWRNDLGQJATPMI-IJJPCNHRSA-N +HMDB0008631 833.593455181 PC(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) C48H84NO8P MRTXALWCLLOFNU-RFGGSDOISA-N +HMDB0008635 865.656055437 PC(22:4(7Z,10Z,13Z,16Z)/20:0) C50H92NO8P MFAKYYBEUHGJJL-LFRGNPRBSA-N +HMDB0008636 863.640405373 PC(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)) C50H90NO8P OWLGRGMPPSCQNS-IHOYWFMCSA-N +HMDB0008637 861.624755309 PC(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z)) C50H88NO8P DSVRMAGYENFTLY-GDDYDVMSSA-N +HMDB0008652 793.598540559 PC(22:4(7Z,10Z,13Z,16Z)/P-16:0) C46H84NO7P QSCPZZNEQRYGTB-PZVMGWTJSA-N +HMDB0008653 821.629840687 PC(22:4(7Z,10Z,13Z,16Z)/P-18:0) C48H88NO7P HPVYKCPKEVVBSW-DDSLUFNQSA-N +HMDB0008654 819.614190623 PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) C48H86NO7P IWLBPHJZJWTKKU-DDURNVNNSA-N +HMDB0008655 819.614190623 PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z)) C48H86NO7P JZDUVQDJNGETJN-ZHSBWYKVSA-N +HMDB0008656 779.546504989 PC(22:5(4Z,7Z,10Z,13Z,16Z)/14:0) C44H78NO8P AJLDCHCYUANNSO-WMUBFXSWSA-N +HMDB0008657 777.530854925 PC(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)) C44H76NO8P XGLZBINKZRQAPD-OTMYLMJASA-N +HMDB0008659 807.577805117 PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:0) C46H82NO8P BKMZEBCQEFQERC-RWWOECIPSA-N +HMDB0008660 805.562155053 PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)) C46H80NO8P ZQVQZWAPLCJLRX-SCEKUSSYSA-N +HMDB0008661 835.609105245 PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:0) C48H86NO8P QZWDHIKEFKIAGO-PPQSZTDQSA-N +HMDB0008662 833.593455181 PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)) C48H84NO8P IDZSNKUFNURDOS-MUNZJYBDSA-N +HMDB0008663 833.593455181 PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)) C48H84NO8P BMDGYQSEWGPUNB-ZOAQPGSISA-N +HMDB0008668 863.640405373 PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:0) C50H90NO8P NFEZPFWTONOGNU-GDHSNESHSA-N +HMDB0008669 861.624755309 PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)) C50H88NO8P GSPUWDQBHFMAQP-IVXDRBJVSA-N +HMDB0008685 791.582890495 PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-16:0) C46H82NO7P UXEPKPPWMGCZKG-MYZUPDLISA-N +HMDB0008686 819.614190623 PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:0) C48H86NO7P HZYIWJFVQCSBKE-SOTCHDEZSA-N +HMDB0008687 817.598540559 PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z)) C48H84NO7P SJJGNKGNESOYIJ-WCGTXFODSA-N +HMDB0008688 817.598540559 PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z)) C48H84NO7P MSCFBKZUOGKJNH-DOWYPDBQSA-N +HMDB0008689 779.546504989 PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:0) C44H78NO8P LPZVTJRCWZIDNE-DYPKKMQZSA-N +HMDB0008690 777.530854925 PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) C44H76NO8P XYZGDARMQJBJAP-WKOATJLPSA-N +HMDB0008692 807.577805117 PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:0) C46H82NO8P ZEKZKKJDGPLPNX-WSRVZQLPSA-N +HMDB0008693 805.562155053 PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) C46H80NO8P XVZHRLZRCCOROP-CIWMBDKCSA-N +HMDB0008694 835.609105245 PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:0) C48H86NO8P WRNCJRNSVGTWQJ-KEIGBYLJSA-N +HMDB0008695 833.593455181 PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) C48H84NO8P ZMTZOGYHHRZBEB-VPPPPCJOSA-N +HMDB0008696 833.593455181 PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) C48H84NO8P DQRVNAQGVZKEPS-BWZUDBBASA-N +HMDB0008701 863.640405373 PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:0) C50H90NO8P PQDSIRFYBHSCGS-AJYQGTBASA-N +HMDB0008702 861.624755309 PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) C50H88NO8P OZHXZHXJMWKZQS-UBDQGBMGSA-N +HMDB0008718 791.582890495 PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-16:0) C46H82NO7P NJQMYYBEWKAWBA-QROROJFCSA-N +HMDB0008719 819.614190623 PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:0) C48H86NO7P KHICPJOTTBGGJP-LXZOKQGKSA-N +HMDB0008720 817.598540559 PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) C48H84NO7P IBGYESWSWHJPKI-RXABMMRCSA-N +HMDB0008721 817.598540559 PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z)) C48H84NO7P XUVCLJCZWPTAIO-OAKHYACESA-N +HMDB0008722 777.530854925 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0) C44H76NO8P WJBQZCVRYZHPRT-VPDRWISVSA-N +HMDB0008725 805.562155053 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0) C46H80NO8P YALZVLCVXOASDL-FZGNBNATSA-N +HMDB0008727 833.593455181 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) C48H84NO8P AHWXJDWBIIDPKS-TZUVPVEASA-N +HMDB0008734 861.624755309 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0) C50H88NO8P BINZSSJRRWYPEG-FODDTAATSA-N +HMDB0008751 789.567240431 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-16:0) C46H80NO7P GJRXIEGNAMFGOV-VEOGPPBOSA-N +HMDB0008752 817.598540559 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0) C48H84NO7P FMBYBTSZVHUJMV-DIVFMYBRSA-N +HMDB0008755 817.656055437 PC(24:0/14:0) C46H92NO8P AOOITFXGGJDRQB-USYZEHPZSA-N +HMDB0008756 815.640405373 PC(24:0/14:1(9Z)) C46H90NO8P ARMWEMUEJRQZCD-KTKPPDABSA-N +HMDB0008758 845.687355565 PC(24:0/16:0) C48H96NO8P VNVBJTOZNQTTCV-YACUFSJGSA-N +HMDB0008759 843.671705501 PC(24:0/16:1(9Z)) C48H94NO8P VFARCRWDZSHCMO-VGURBHAXSA-N +HMDB0008760 873.718655693 PC(24:0/18:0) C50H100NO8P GFTINFYKXJTEDX-QSCHNALKSA-N +HMDB0008761 871.703005629 PC(24:0/18:1(11Z)) C50H98NO8P GHQRIAPHRZOTFN-IOVWWOAPSA-N +HMDB0008762 871.703005629 PC(24:0/18:1(9Z)) C50H98NO8P RPFJUYGHQKYVGN-FQUFUIAJSA-N +HMDB0008763 869.687355565 PC(24:0/18:2(9Z,12Z)) C50H96NO8P IIGQXTIUKKRHCT-WPYVRAPFSA-N +HMDB0008766 865.656055437 PC(24:0/18:4(6Z,9Z,12Z,15Z)) C50H92NO8P IETKDEZWCHUMKL-XVZQVVRQSA-N +HMDB0008784 829.692440943 PC(24:0/P-16:0) C48H96NO7P YUEYBAGQVGBAPR-SATDTQGDSA-N +HMDB0008785 857.723741071 PC(24:0/P-18:0) C50H100NO7P RGQRAIBRPXHXFR-BHYVKQBPSA-N +HMDB0008786 855.708091007 PC(24:0/P-18:1(11Z)) C50H98NO7P MWPRVEPTIHJPAL-KFEZRJJJSA-N +HMDB0008787 855.708091007 PC(24:0/P-18:1(9Z)) C50H98NO7P QALXUXWZWOUOFB-WIQZAVPASA-N +HMDB0008788 815.640405373 PC(24:1(15Z)/14:0) C46H90NO8P XWESAEXDQFDGEZ-IKJFKDIMSA-N +HMDB0008791 843.671705501 PC(24:1(15Z)/16:0) C48H94NO8P YXBYAKANNOWDGM-QFQSVWFISA-N +HMDB0008792 841.656055437 PC(24:1(15Z)/16:1(9Z)) C48H92NO8P ZHHDWDXQYDFYKQ-QYQAGSNQSA-N +HMDB0008793 871.703005629 PC(24:1(15Z)/18:0) C50H98NO8P NNYLDFXNPQLQLU-RURDTVAGSA-N +HMDB0008794 869.687355565 PC(24:1(15Z)/18:1(11Z)) C50H96NO8P NHCQXAIWNWQNKC-PRTODFFFSA-N +HMDB0008795 869.687355565 PC(24:1(15Z)/18:1(9Z)) C50H96NO8P RYDOABFPJPYSFY-JXSZFMCPSA-N +HMDB0008797 865.656055437 PC(24:1(15Z)/18:3(6Z,9Z,12Z)) C50H92NO8P GBIZLQLECZADGM-UDTGXXMFSA-N +HMDB0008798 865.656055437 PC(24:1(15Z)/18:3(9Z,12Z,15Z)) C50H92NO8P OENQWPYNVSKSGJ-XRNMTXJFSA-N +HMDB0008799 863.640405373 PC(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)) C50H90NO8P HRIRUZYBOOMNNS-PLMDKBHUSA-N +HMDB0008817 827.676790879 PC(24:1(15Z)/P-16:0) C48H94NO7P LARCTGUWQQPWOV-QIWTVRBJSA-N +HMDB0008818 855.708091007 PC(24:1(15Z)/P-18:0) C50H98NO7P PGPURMZKEVWAFO-VMNSASLRSA-N +HMDB0008819 853.692440943 PC(24:1(15Z)/P-18:1(11Z)) C50H96NO7P XUCRMKOOPPYQFN-JFKFTMGCSA-N +HMDB0008820 853.692440943 PC(24:1(15Z)/P-18:1(9Z)) C50H96NO7P ZLQCRABYIDJNLT-AZPQEANBSA-N +HMDB0008824 663.483905216 PE(14:0/16:0) C35H70NO8P FXNACVVCWBVCGD-MGBGTMOVSA-N +HMDB0008826 691.515205345 PE(14:0/18:0) C37H74NO8P AUSLLMXXJBCZGL-PGUFJCEWSA-N +HMDB0008842 745.562155053 PE(14:0/22:1(13Z)) C41H80NO8P RETPVUGMYRRYPF-SGFDTVKUSA-N +HMDB0008843 743.546504989 PE(14:0/22:2(13Z,16Z)) C41H78NO8P OUEUPCHAIFZTKH-LSWZYRHBSA-N +HMDB0008849 773.593455181 PE(14:0/24:1(15Z)) C43H84NO8P PHNTZMYSEVOGFP-SJWLXQKBSA-N +HMDB0008874 745.562155053 PE(14:1(9Z)/22:0) C41H80NO8P BSVQKPRGDPWRBO-IQEWKVFESA-N +HMDB0008875 743.546504989 PE(14:1(9Z)/22:1(13Z)) C41H78NO8P CUUIBVDVVFLYGA-ZDMXYWDMSA-N +HMDB0008881 773.593455181 PE(14:1(9Z)/24:0) C43H84NO8P IPBXKYJWPCRPLD-AFHWQMSISA-N +HMDB0008882 771.577805117 PE(14:1(9Z)/24:1(15Z)) C43H82NO8P QHFLHJLJIVRZEW-KBELHWENSA-N +HMDB0008893 703.515204861 PE(15:0/18:1(11Z)) C38H74NO8P LKUKJIYAXQFZTD-MRDDHZETSA-N +HMDB0008894 703.515205345 PE(15:0/18:1(9Z)) C38H74NO8P ADCNXGARWPJRBV-UVCQAILXSA-N +HMDB0008900 731.546504989 PE(15:0/20:1(11Z)) C40H78NO8P DAZYZDVAACSMFA-DYFSFZQGSA-N +HMDB0008909 757.562155053 PE(15:0/22:2(13Z,16Z)) C42H80NO8P ZHZTYDTVUSPVLX-UQZFHPPLSA-N +HMDB0008923 691.515205345 PE(16:0/16:0) C37H74NO8P SLKDGVPOSSLUAI-PGUFJCEWSA-N +HMDB0008926 717.530855409 PE(16:0/18:1(11Z)) C39H76NO8P LYJWNHGFGVVCAO-IEHWZJNJSA-N +HMDB0008927 717.530855409 PE(16:0/18:1(9Z)) C39H76NO8P FHQVHHIBKUMWTI-OTMQOFQLSA-N +HMDB0008928 715.515204861 PE(16:0/18:2(9Z,12Z)) C39H74NO8P HBZNVZIRJWODIB-NHCUFCNUSA-N +HMDB0008933 745.562155053 PE(16:0/20:1(11Z)) C41H80NO8P CCIRMRKPMPEIFZ-WUOYJZDRSA-N +HMDB0008934 743.546504989 PE(16:0/20:2(11Z,14Z)) C41H78NO8P UDBXKKKIEXMSEA-XKKGNKCGSA-N +HMDB0008937 739.515204861 PE(16:0/20:4(5Z,8Z,11Z,14Z)) C41H74NO8P DRIVXEVMDWCWLI-CAQMIEAISA-N +HMDB0008938 739.515204861 PE(16:0/20:4(8Z,11Z,14Z,17Z)) C41H74NO8P NQIMLWFRWGTTOZ-JGGKAAGMSA-N +HMDB0008941 773.593455181 PE(16:0/22:1(13Z)) C43H84NO8P XMJSNHMFTISTET-AFASEBMKSA-N +HMDB0008942 771.577805117 PE(16:0/22:2(13Z,16Z)) C43H82NO8P OONVIPGPMOPRTM-PYPPRJKTSA-N +HMDB0008951 701.535940303 PE(16:0/P-18:1(11Z)) C39H76NO7P LAFTYABRLNPQHQ-NHGOJEJISA-N +HMDB0008952 701.535940303 PE(16:0/P-18:1(9Z)) C39H76NO7P FCPBFHHIKXPHHN-CSTBBDSDSA-N +HMDB0008956 689.49955528 PE(16:1(9Z)/16:0) C37H72NO8P QHNWICFFSBJICC-JUOLSMOWSA-N +HMDB0008965 745.562155053 PE(16:1(9Z)/20:0) C41H80NO8P DWDUPRRUGYDGQF-QRMPNUHKSA-N +HMDB0008966 743.546504989 PE(16:1(9Z)/20:1(11Z)) C41H78NO8P RPYIJSOTHVJLOR-HNNDRFCVSA-N +HMDB0008973 773.593455181 PE(16:1(9Z)/22:0) C43H84NO8P XUUQFFVLEYTYES-MITQYPHISA-N +HMDB0008974 771.577805117 PE(16:1(9Z)/22:1(13Z)) C43H82NO8P SMHQICHVYVREKX-CCUJVRBKSA-N +HMDB0008982 673.504640175 PE(16:1(9Z)/P-16:0) C37H72NO7P VNAHWIQCBOQKAJ-LSHIAAAISA-N +HMDB0008988 705.530854925 PE(18:0/15:0) C38H76NO8P CBJZKZNOFISZSC-PSXMRANNSA-N +HMDB0008992 745.562155053 PE(18:0/18:1(11Z)) C41H80NO8P ZBKSDVGXOOCETO-QRMPNUHKSA-N +HMDB0008993 745.562155538 PE(18:0/18:1(9Z)) C41H80NO8P JQKOHRZNEOQNJE-DJEJVYNPSA-N +HMDB0008994 743.546504989 PE(18:0/18:2(9Z,12Z)) C41H78NO8P YDTWOEYVDRKKCR-KNERPIHHSA-N +HMDB0008999 773.593455181 PE(18:0/20:1(11Z)) C43H84NO8P DBYSGBYABPVNGO-HVLKLTLRSA-N +HMDB0009000 771.577805117 PE(18:0/20:2(11Z,14Z)) C43H82NO8P WYDGEVICLIVPEG-JMMITYAOSA-N +HMDB0009009 795.577805117 PE(18:0/22:4(7Z,10Z,13Z,16Z)) C45H82NO8P HNFSZKRUPTYBOQ-ZDYOIFAYSA-N +HMDB0009010 793.562155053 PE(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C45H80NO8P DPRXQVIZBLENFV-NPQRSGSQSA-N +HMDB0009011 793.562155053 PE(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C45H80NO8P KYERVKWKQQBRQB-LKDUQXRXSA-N +HMDB0009017 729.567240431 PE(18:0/P-18:1(11Z)) C41H80NO7P XJRBLUARQNXNQS-CSASKLPHSA-N +HMDB0009018 729.567240431 PE(18:0/P-18:1(9Z)) C41H80NO7P ZTGVBXDPMCYOEV-KHFVPPDWSA-N +HMDB0009024 745.562155053 PE(18:1(11Z)/18:0) C41H80NO8P MKMUWJJSVUOCQC-DTKYWWSASA-N +HMDB0009025 743.546505474 PE(18:1(11Z)/18:1(11Z)) C41H78NO8P FXSMMNUNFDTUMS-NCDRPEBGSA-N +HMDB0009026 743.546504989 PE(18:1(11Z)/18:1(9Z)) C41H78NO8P VHHMKXOBDPAFKC-HWQBUQMOSA-N +HMDB0009031 773.593455181 PE(18:1(11Z)/20:0) C43H84NO8P HPHYBSPOEJMPAN-MITQYPHISA-N +HMDB0009032 771.577805117 PE(18:1(11Z)/20:1(11Z)) C43H82NO8P UKRAYYYOKQQQKZ-GMUXBFKVSA-N +HMDB0009042 793.562155053 PE(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C45H80NO8P OPJHRPGFKUCTOK-PXCLINIVSA-N +HMDB0009049 729.567240431 PE(18:1(11Z)/P-18:0) C41H80NO7P ANRCNDSZUNAAEU-SSTBVQCHSA-N +HMDB0009050 727.551590367 PE(18:1(11Z)/P-18:1(11Z)) C41H78NO7P BIYXBOGKCFGRKR-NZWMGPRYSA-N +HMDB0009051 727.551590367 PE(18:1(11Z)/P-18:1(9Z)) C41H78NO7P MTYMMKBRSNPIPR-UJUPZVJJSA-N +HMDB0009057 745.562155538 PE(18:1(9Z)/18:0) C41H80NO8P LICSIKXBSOVGBP-VEAYGOGPSA-N +HMDB0009058 743.546504989 PE(18:1(9Z)/18:1(11Z)) C41H78NO8P ZTSRQLQWGSDQGP-RTJYTIBZSA-N +HMDB0009059 743.546505474 PE(18:1(9Z)/18:1(9Z)) C41H78NO8P MWRBNPKJOOWZPW-NYVOMTAGSA-N +HMDB0009064 773.593455181 PE(18:1(9Z)/20:0) C43H84NO8P VOSQJLVNDRUECW-JHWHEROUSA-N +HMDB0009065 771.577805117 PE(18:1(9Z)/20:1(11Z)) C43H82NO8P UITCASPZWUAJBW-HLHBCVTMSA-N +HMDB0009075 793.562155053 PE(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C45H80NO8P IIWMKSHLSCQARO-DFVLQBLZSA-N +HMDB0009082 729.567240431 PE(18:1(9Z)/P-18:0) C41H80NO7P UJKZLJHORBRGNZ-QZEVRULJSA-N +HMDB0009083 727.551590367 PE(18:1(9Z)/P-18:1(11Z)) C41H78NO7P DZLWFPKMBZCBNP-LQNIOAHJSA-N +HMDB0009084 727.551590367 PE(18:1(9Z)/P-18:1(9Z)) C41H78NO7P ANVMSBIGOHYJFD-UDHSZFGOSA-N +HMDB0009090 743.546504989 PE(18:2(9Z,12Z)/18:0) C41H78NO8P DXXUYBAISOHOLM-XRIXOMQFSA-N +HMDB0009097 771.577805117 PE(18:2(9Z,12Z)/20:0) C43H82NO8P DPTUTWFSXXDMEO-CNBLIUODSA-N +HMDB0009107 795.577805117 PE(18:2(9Z,12Z)/22:2(13Z,16Z)) C45H82NO8P ODKCSLGCTVUPMX-JNUKZNIKSA-N +HMDB0009115 727.551590367 PE(18:2(9Z,12Z)/P-18:0) C41H78NO7P PTTOPPWTEHEDTA-PISDLAQISA-N +HMDB0009139 795.577805117 PE(18:3(6Z,9Z,12Z)/22:1(13Z)) C45H82NO8P JLYDNXJQTBLQKZ-WMEUQYBGSA-N +HMDB0009140 793.562155053 PE(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)) C45H80NO8P GMXIUCLINHXQQD-VLLLCYRKSA-N +HMDB0009172 795.577805117 PE(18:3(9Z,12Z,15Z)/22:1(13Z)) C45H82NO8P DSZLDVIMYQKWGY-JOIVCNAYSA-N +HMDB0009173 793.562155053 PE(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)) C45H80NO8P JNMLRFRSKRFHKL-QPBWJCTOSA-N +HMDB0009204 795.577805117 PE(18:4(6Z,9Z,12Z,15Z)/22:0) C45H82NO8P QCCKXFCODQEYIW-CEGLHCBSSA-N +HMDB0009205 793.562155053 PE(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)) C45H80NO8P RQRUBEBOUYHPDW-HJVBBDAQSA-N +HMDB0009221 745.562155053 PE(20:0/16:1(9Z)) C41H80NO8P KZMQZJZTKYKTJQ-QRMPNUHKSA-N +HMDB0009223 773.593455181 PE(20:0/18:1(11Z)) C43H84NO8P XYHIPPZFNNOMQL-MITQYPHISA-N +HMDB0009224 773.593455181 PE(20:0/18:1(9Z)) C43H84NO8P VDNXNFMAFDYQSI-JHWHEROUSA-N +HMDB0009225 771.577805117 PE(20:0/18:2(9Z,12Z)) C43H82NO8P CLPMAPXZURYSNH-CNBLIUODSA-N +HMDB0009234 795.577805117 PE(20:0/20:4(5Z,8Z,11Z,14Z)) C45H82NO8P CIXWKDHTFXYVTC-LYPBNKOOSA-N +HMDB0009235 795.577805117 PE(20:0/20:4(8Z,11Z,14Z,17Z)) C45H82NO8P MIPOZDXFSKBSGM-IMYCSHPSSA-N +HMDB0009236 793.562155053 PE(20:0/20:5(5Z,8Z,11Z,14Z,17Z)) C45H80NO8P MWDRGYRNYDLFKA-QAYGZBPNSA-N +HMDB0009248 757.598540559 PE(20:0/P-18:1(11Z)) C43H84NO7P UAPYZCDNFGJZSC-QSKLCZHJSA-N +HMDB0009249 757.598540559 PE(20:0/P-18:1(9Z)) C43H84NO7P KRZKEZVISPYOPJ-PFGXKIITSA-N +HMDB0009253 745.562155053 PE(20:1(11Z)/16:0) C41H80NO8P APTOFTJOCNPNQP-WUOYJZDRSA-N +HMDB0009254 743.546504989 PE(20:1(11Z)/16:1(9Z)) C41H78NO8P UBTNBSZLGQJLPI-HNNDRFCVSA-N +HMDB0009255 773.593455181 PE(20:1(11Z)/18:0) C43H84NO8P FMYXHSVUQFRMGW-HVLKLTLRSA-N +HMDB0009256 771.577805117 PE(20:1(11Z)/18:1(11Z)) C43H82NO8P GKXLKICEHUALBW-GMUXBFKVSA-N +HMDB0009257 771.577805117 PE(20:1(11Z)/18:1(9Z)) C43H82NO8P BUCLJVJCFFPNPB-HLHBCVTMSA-N +HMDB0009265 795.577805117 PE(20:1(11Z)/20:3(5Z,8Z,11Z)) C45H82NO8P FEPPCXIJSFVQDL-IKEWFQJZSA-N +HMDB0009266 795.577805117 PE(20:1(11Z)/20:3(8Z,11Z,14Z)) C45H82NO8P HHXLWNJDUZUKLO-RMVBIBMUSA-N +HMDB0009267 793.562155053 PE(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C45H80NO8P VPDGQGZVNVFJGD-PCXMWBQASA-N +HMDB0009268 793.562155053 PE(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C45H80NO8P DVFTWBPPIMYUEN-QOPSJUFXSA-N +HMDB0009279 729.567240431 PE(20:1(11Z)/P-16:0) C41H80NO7P RZGFDECXQULSLM-KHFVPPDWSA-N +HMDB0009280 757.598540559 PE(20:1(11Z)/P-18:0) C43H84NO7P XEWZHCLDUCWNLB-HBHQMZOPSA-N +HMDB0009281 755.582890495 PE(20:1(11Z)/P-18:1(11Z)) C43H82NO7P OHBRNOPVIZLBBE-CGPNWZOFSA-N +HMDB0009282 755.582890495 PE(20:1(11Z)/P-18:1(9Z)) C43H82NO7P USEKWJQLASGHIH-WLKREVAWSA-N +HMDB0009286 743.546504989 PE(20:2(11Z,14Z)/16:0) C41H78NO8P NWJGEXWORFCRSI-XKKGNKCGSA-N +HMDB0009288 771.577805117 PE(20:2(11Z,14Z)/18:0) C43H82NO8P FRVWPWGGHGGKMD-JMMITYAOSA-N +HMDB0009297 795.577805117 PE(20:2(11Z,14Z)/20:2(11Z,14Z)) C45H82NO8P KSAJIJQUJUOZKJ-DHAKCBTASA-N +HMDB0009298 793.562155053 PE(20:2(11Z,14Z)/20:3(5Z,8Z,11Z)) C45H80NO8P HCQUFOLAJNWIDV-NQBPNILHSA-N +HMDB0009299 793.562155053 PE(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)) C45H80NO8P JIEASZUPMDFVLW-WFGJNNQUSA-N +HMDB0009312 727.551590367 PE(20:2(11Z,14Z)/P-16:0) C41H78NO7P MPCVLWFEQHTFHH-YKKPZWMYSA-N +HMDB0009313 755.582890495 PE(20:2(11Z,14Z)/P-18:0) C43H82NO7P SSVPEUWHHFKSEB-IRSYNFPBSA-N +HMDB0009321 769.562155053 PE(20:3(5Z,8Z,11Z)/18:0) C43H80NO8P VFSMZSWKKPWQQW-SGLNQUQJSA-N +HMDB0009329 795.577805117 PE(20:3(5Z,8Z,11Z)/20:1(11Z)) C45H82NO8P RUOGJLKOZLGYHK-RFEVMYKHSA-N +HMDB0009330 793.562155053 PE(20:3(5Z,8Z,11Z)/20:2(11Z,14Z)) C45H80NO8P PYFNLOPDTZXGTN-FOCBNLSVSA-N +HMDB0009346 753.567240431 PE(20:3(5Z,8Z,11Z)/P-18:0) C43H80NO7P GOKCOIYNLBLTCL-FTHMHTRFSA-N +HMDB0009354 769.562155053 PE(20:3(8Z,11Z,14Z)/18:0) C43H80NO8P AYXGHIQPMDYMJC-AHMBLZLYSA-N +HMDB0009362 795.577805117 PE(20:3(8Z,11Z,14Z)/20:1(11Z)) C45H82NO8P CVPHRRKVQKYWSZ-TUMWYCLHSA-N +HMDB0009363 793.562155053 PE(20:3(8Z,11Z,14Z)/20:2(11Z,14Z)) C45H80NO8P BYVQCOREHGDXRD-WCABBIDISA-N +HMDB0009379 753.567240431 PE(20:3(8Z,11Z,14Z)/P-18:0) C43H80NO7P CWPKVJPBYGQUHE-MTROFRMRSA-N +HMDB0009387 767.546504989 PE(20:4(5Z,8Z,11Z,14Z)/18:0) C43H78NO8P FKCXXHSNNJJOHT-WKYUVXQZSA-N +HMDB0009394 795.577805117 PE(20:4(5Z,8Z,11Z,14Z)/20:0) C45H82NO8P WLTBPSUTBXIPBI-YCFXMPIKSA-N +HMDB0009395 793.562155053 PE(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)) C45H80NO8P BUIZMIHPZOBMLF-RXMGPZFASA-N +HMDB0009412 751.551590367 PE(20:4(5Z,8Z,11Z,14Z)/P-18:0) C43H78NO7P VZEYVZNRVARGGK-FXMFQVEGSA-N +HMDB0009420 767.546504989 PE(20:4(8Z,11Z,14Z,17Z)/18:0) C43H78NO8P JUYYWEDATPYDSS-FGIXMGIFSA-N +HMDB0009427 795.577805117 PE(20:4(8Z,11Z,14Z,17Z)/20:0) C45H82NO8P QIMXBAASHOXOCT-PUMRHJMJSA-N +HMDB0009428 793.562155053 PE(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)) C45H80NO8P IZEJYRQAFUAOSD-APQWLYTDSA-N +HMDB0009445 751.551590367 PE(20:4(8Z,11Z,14Z,17Z)/P-18:0) C43H78NO7P ZRQPYJXAEPDRDM-VZBWJDOASA-N +HMDB0009460 793.562155053 PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:0) C45H80NO8P HDCWJEDGPFQUKG-BUWHGKJASA-N +HMDB0009482 745.562155053 PE(22:0/14:1(9Z)) C41H80NO8P QMQLZZVQOMZDCN-IQEWKVFESA-N +HMDB0009485 773.593455181 PE(22:0/16:1(9Z)) C43H84NO8P ZNMZYHOEYPCVMP-MITQYPHISA-N +HMDB0009492 795.577805117 PE(22:0/18:4(6Z,9Z,12Z,15Z)) C45H82NO8P QCPNXDHEZUMTLB-OYRCKGISSA-N +HMDB0009514 745.562155053 PE(22:1(13Z)/14:0) C41H80NO8P AHVVIUYIKIQVDO-SGFDTVKUSA-N +HMDB0009515 743.546504989 PE(22:1(13Z)/14:1(9Z)) C41H78NO8P XOTZQQUUCAOSLB-ZDMXYWDMSA-N +HMDB0009517 773.593455181 PE(22:1(13Z)/16:0) C43H84NO8P URRUJVMBYGYWNL-AFASEBMKSA-N +HMDB0009518 771.577805117 PE(22:1(13Z)/16:1(9Z)) C43H82NO8P CUUQTWOJYKCYRS-CCUJVRBKSA-N +HMDB0009523 795.577805117 PE(22:1(13Z)/18:3(6Z,9Z,12Z)) C45H82NO8P RHBZSPYYUTVJHJ-HPHYLAMISA-N +HMDB0009524 795.577805117 PE(22:1(13Z)/18:3(9Z,12Z,15Z)) C45H82NO8P YHKHZYNNNXVJRS-JOIVCNAYSA-N +HMDB0009525 793.562155053 PE(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)) C45H80NO8P IZWPZNGYCMMGHU-IYGLDYEKSA-N +HMDB0009543 757.598540559 PE(22:1(13Z)/P-16:0) C43H84NO7P MVASPAIFCLTHSN-HBHQMZOPSA-N +HMDB0009547 743.546504989 PE(22:2(13Z,16Z)/14:0) C41H78NO8P XJLGATDALCZXFX-LSWZYRHBSA-N +HMDB0009549 757.562155053 PE(22:2(13Z,16Z)/15:0) C42H80NO8P KXVQBSORIXQSRP-UQZFHPPLSA-N +HMDB0009550 771.577805117 PE(22:2(13Z,16Z)/16:0) C43H82NO8P XNZHFYSLNIZKJP-PYPPRJKTSA-N +HMDB0009555 795.577805117 PE(22:2(13Z,16Z)/18:2(9Z,12Z)) C45H82NO8P JCZXAXBRLLOCPM-JNUKZNIKSA-N +HMDB0009556 793.562155053 PE(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)) C45H80NO8P BRZHNCZGBULDIZ-XYHFPQPRSA-N +HMDB0009557 793.562155053 PE(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)) C45H80NO8P QISXRGLAZUIPCG-QPBWJCTOSA-N +HMDB0009576 755.582890495 PE(22:2(13Z,16Z)/P-16:0) C43H82NO7P WMGNZOBBKTUGGQ-IRSYNFPBSA-N +HMDB0009585 795.577805117 PE(22:4(7Z,10Z,13Z,16Z)/18:0) C45H82NO8P WALILJXJZOCRCD-LFKCOKBZSA-N +HMDB0009586 793.562155053 PE(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)) C45H80NO8P SQWAGNNCWNPIQG-UDSQKQMUSA-N +HMDB0009587 793.562155053 PE(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)) C45H80NO8P PQCDVFVOQBZXJA-BYQCZQGLSA-N +HMDB0009610 779.582890495 PE(22:4(7Z,10Z,13Z,16Z)/P-18:0) C45H82NO7P OJCHOVMLEHFBOD-IKHSQHJKSA-N +HMDB0009611 777.567240431 PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) C45H80NO7P FISVEBQJGBZOPW-USOCFQKQSA-N +HMDB0009612 777.567240431 PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z)) C45H80NO7P PIRVOZHXFFFFFG-ZGMVDJDGSA-N +HMDB0009618 793.562155053 PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:0) C45H80NO8P NCWMYSRFLUIVBC-LDCZMAMRSA-N +HMDB0009643 777.567240431 PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:0) C45H80NO7P PCKXGFCVDCVIHH-ABYSKWQHSA-N +HMDB0009651 793.562155053 PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:0) C45H80NO8P WQHSMYBPCGOJLV-LMAJKDESSA-N +HMDB0009676 777.567240431 PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:0) C45H80NO7P DHZUMZVZAZYQIW-MVCMTJSTSA-N +HMDB0009713 773.593455181 PE(24:0/14:1(9Z)) C43H84NO8P UJDHYDGXZXDWNT-AFHWQMSISA-N +HMDB0009739 915.765605885 PE(24:0/24:0) C53H106NO8P BZUNRSOACSOEBT-NLXJDERGSA-N +HMDB0009740 913.749955821 PE(24:0/24:1(15Z)) C53H104NO8P MTYZXHQAIRJTJM-PVKRUZGSSA-N +HMDB0009745 773.593455181 PE(24:1(15Z)/14:0) C43H84NO8P HNZTVXMGKFBWNB-SJWLXQKBSA-N +HMDB0009746 771.577805117 PE(24:1(15Z)/14:1(9Z)) C43H82NO8P LYQNHUUXGYHXPH-KBELHWENSA-N +HMDB0009778 810.525829126 PI(16:0/16:0) C41H79O13P IBUKXRINTKQBRQ-NBURIUCMSA-N +HMDB0009789 858.525829126 PI(16:0/20:4(5Z,8Z,11Z,14Z)) C45H79O13P KIQYUSYSJTUGFZ-GWAZTMTOSA-N +HMDB0009790 858.525829126 PI(16:0/20:4(8Z,11Z,14Z,17Z)) C45H79O13P VWRYMIZQLPXULA-CRQXIUBQSA-N +HMDB0009795 884.54147919 PI(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C47H81O13P HNDKJAKTGIPBNM-YTQFFZBCSA-N +HMDB0009796 884.54147919 PI(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C47H81O13P COCGWLCGPZONJF-DDAFQYKVSA-N +HMDB0009804 884.54147919 PI(16:2(9Z,12Z)/22:3(10Z,13Z,16Z)) C47H81O13P DMWGXPQFZLCNSP-LVRSVQNSSA-N +HMDB0009806 836.54147919 PI(18:0/16:1(9Z)) C43H81O13P QMAMEGDTQPWOEM-FVTXIWCXSA-N +HMDB0009812 890.588429382 PI(18:0/20:2(11Z,14Z)) C47H87O13P RZFIPFIGUWXYNB-LFAJGPILSA-N +HMDB0009813 888.572779318 PI(18:0/20:3(5Z,8Z,11Z)) C47H85O13P BSTMJEKBGMABBW-SVOBYVNYSA-N +HMDB0009814 888.572779318 PI(18:0/20:3(8Z,11Z,14Z)) C47H85O13P ZUGLBBVIAIBIKG-JOXDCNDISA-N +HMDB0009815 886.557129254 PI(18:0/20:4(5Z,8Z,11Z,14Z)) C47H83O13P KRTOMQDUKGRFDJ-MWZLTEOLSA-N +HMDB0009816 886.557129254 PI(18:0/20:4(8Z,11Z,14Z,17Z)) C47H83O13P OJESNYFIPWSOPO-MTPIFTEDSA-N +HMDB0009823 834.525829126 PI(18:1(11Z)/16:1(9Z)) C43H79O13P OFWQGVZVLYOZNF-IZGNVWOTSA-N +HMDB0009824 862.557129254 PI(18:1(11Z)/18:1(11Z)) C45H83O13P HJXLLSHIQZPQLZ-BESHNSGQSA-N +HMDB0009825 862.557129254 PI(18:1(11Z)/18:1(9Z)) C45H83O13P FTAJUMMOKVEZBE-BPSMPOADSA-N +HMDB0009827 858.525829126 PI(18:1(11Z)/18:3(6Z,9Z,12Z)) C45H79O13P IMEOCGXNCGMQIG-QQXGMZICSA-N +HMDB0009828 858.525829126 PI(18:1(11Z)/18:3(9Z,12Z,15Z)) C45H79O13P XOCJWQRCSPVKML-XDPJAJCUSA-N +HMDB0009832 884.54147919 PI(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C47H81O13P SSZPKZKUQCKMKS-YDHZRSOTSA-N +HMDB0009833 884.54147919 PI(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C47H81O13P HKZUQGZNSPCSAQ-JRRRANSLSA-N +HMDB0009835 834.525829126 PI(18:1(9Z)/16:1(9Z)) C43H79O13P BDRPKQLVISVUCU-UZBWDOCNSA-N +HMDB0009836 862.557129254 PI(18:1(9Z)/18:1(11Z)) C45H83O13P LORSZBNSYOKZNV-RCVIVVFUSA-N +HMDB0009837 862.557129254 PI(18:1(9Z)/18:1(9Z)) C45H83O13P LALGUHSIWLNTNW-SHLWDWSJSA-N +HMDB0009839 858.525829126 PI(18:1(9Z)/18:3(6Z,9Z,12Z)) C45H79O13P QQQIZZJWFPGZFU-XZJTVJSISA-N +HMDB0009840 858.525829126 PI(18:1(9Z)/18:3(9Z,12Z,15Z)) C45H79O13P GOWNAKLKHNFBLL-UJAKPBMDSA-N +HMDB0009844 884.54147919 PI(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C47H81O13P SHIZRFSRTKXRQL-VKUXDMFFSA-N +HMDB0009845 884.54147919 PI(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C47H81O13P XGZVRASBCZTHNO-QJXGYZSMSA-N +HMDB0009850 858.525829126 PI(18:2(9Z,12Z)/18:2(9Z,12Z)) C45H79O13P JTPRPYYVVJBCFF-IULBOROHSA-N +HMDB0009854 884.54147919 PI(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)) C47H81O13P CQDXWSUINUWFQX-XESSABTASA-N +HMDB0009855 884.54147919 PI(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)) C47H81O13P WMVAOBOFQHVKTL-VEAQMIGASA-N +HMDB0009859 858.525829126 PI(18:3(6Z,9Z,12Z)/18:1(11Z)) C45H79O13P YLTYXLLWSZWHST-WCAHMIBUSA-N +HMDB0009860 858.525829126 PI(18:3(6Z,9Z,12Z)/18:1(9Z)) C45H79O13P XPAIWNCWEZBRLN-HWUJAIKYSA-N +HMDB0009863 858.525829126 PI(18:3(9Z,12Z,15Z)/18:1(11Z)) C45H79O13P QABXOBXYNADSMS-FINYZNFOSA-N +HMDB0009864 858.525829126 PI(18:3(9Z,12Z,15Z)/18:1(9Z)) C45H79O13P CIBWCGFXPGNENM-BVAWILIRSA-N +HMDB0009883 884.54147919 PI(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)) C47H81O13P LFLTUEYGXIOFMJ-UBPNAFHNSA-N +HMDB0009890 884.54147919 PI(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) C47H81O13P QZQRJBQFCRWEDG-CCTXZGAHSA-N +HMDB0009893 858.525829126 PI(20:4(5Z,8Z,11Z,14Z)/16:0) C45H79O13P WPXXYOUAQYYXER-BFRKKRKTSA-N +HMDB0009895 884.54147919 PI(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)) C47H81O13P ZNKMZGVZAZCFHT-JAGYCSJCSA-N +HMDB0009896 884.54147919 PI(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) C47H81O13P WDEXQPPLSHRNLR-ZGNZFFCSSA-N +HMDB0009899 858.525829126 PI(20:4(8Z,11Z,14Z,17Z)/16:0) C45H79O13P LPQVHUAOGUAQEW-CRQXIUBQSA-N +HMDB0009901 884.54147919 PI(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)) C47H81O13P VIGFKXLWKPBIQI-PJZWFLMOSA-N +HMDB0009902 884.54147919 PI(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)) C47H81O13P AQKOQLPXFXZLKF-WNCVJLDNSA-N +HMDB0009908 884.54147919 PI(22:3(10Z,13Z,16Z)/16:2(9Z,12Z)) C47H81O13P QRJDLXBDGZQKAL-LVRSVQNSSA-N +HMDB0009916 884.54147919 PI(22:5(4Z,7Z,10Z,13Z,16Z)/16:0) C47H81O13P RQOVEBMFWCAUPR-RTEDXGKZSA-N +HMDB0009918 884.54147919 PI(22:5(7Z,10Z,13Z,16Z,19Z)/16:0) C47H81O13P YNZSTCIWFMYXJU-XDOZVXPWSA-N +HMDB0010165 811.536334233 PS(18:0/20:4(8Z,11Z,14Z,17Z)) C44H78NO10P IULWELDCBXQXED-DWOSIAKHSA-N +HMDB0010168 705.591049878 SM(d18:0/16:0) C39H82N2O6P QHZIGNLCLJPLCU-QPPIDDCLSA-O +HMDB0010169 703.575399814 SM(d18:1/16:0) C39H80N2O6P RWKUXQNLWDTSLO-GWQJGLRPSA-O +HMDB0010223 296.23514489 9-HODE C18H32O3 NPDSHTNEKLQQIJ-SIGMCMEVSA-N +HMDB0010316 327.095416525 "Acetaminophen glucuronide" C14H17NO8 IPROLSVTVHAQLE-BYNIDDHOSA-N +HMDB0010325 222.073952802 "Ethyl glucuronide" C8H14O7 IWJBVMJWSPZNJH-UQGZVRACSA-N +HMDB0010340 462.26175357 "Retinyl beta-glucuronide" C26H38O7 IYHVRAMISWFIRU-GMBUFXMQSA-N +HMDB0010378 306.255880332 "5,8,11-Eicosatrienoic acid " C20H34O2 UNSRRHDPHVZAHH-YOILPLPUSA-N +HMDB0010379 467.301189343 LysoPC(14:0/0:0) C22H46NO7P VXUOFDJKYGDUJI-OAQYLSRUSA-N +HMDB0010382 495.332489471 LysoPC(16:0) C24H50NO7P ASWBNKHCZGQVJV-HSZRJFAPSA-N +HMDB0010383 493.316839407 LysoPC(16:1(9Z)/0:0) C24H48NO7P LFUDDCMNKWEORN-ZXEGGCGDSA-N +HMDB0010384 523.363789599 LysoPC(18:0) C26H54NO7P IHNKQIMGVNPMTC-RUZDIDTESA-N +HMDB0010385 521.348139535 LysoPC(18:1(11Z)) C26H52NO7P PZRFVAHZNWPPAC-VBKSFVIKSA-N +HMDB0010386 519.332489471 LysoPC(18:2(9Z,12Z)) C26H50NO7P SPJFYYJXNPEZDW-FTJOPAKQSA-N +HMDB0010393 545.348139535 LysoPC(20:3(5Z,8Z,11Z)) C28H52NO7P YHGXYYIGHBPDMX-BUTFDPNWSA-N +HMDB0010394 545.348139535 LysoPC(20:3(8Z,11Z,14Z)) C28H52NO7P BBNHCUBQEQJHIG-FZZJNMCHSA-N +HMDB0010395 543.332489471 LysoPC(20:4(5Z,8Z,11Z,14Z)) C28H50NO7P LAXQYRRMGGEGOH-JXRLJXCWSA-N +HMDB0010396 543.332489471 LysoPC(20:4(8Z,11Z,14Z,17Z)) C28H50NO7P GOMVPVRDBLLHQC-VEJNOCSESA-N +HMDB0010405 607.457689983 LysoPC(24:0) C32H66NO7P SKJMUADLQLZAGH-WJOKGBTCSA-N +HMDB0010408 505.353224913 LysoPC(P-18:1(9Z)) C26H52NO6P KJUNGQXFZYMUOH-FKWLWHCOSA-N +HMDB0010411 778.70504074 TG(16:0/14:0/16:0) C49H94O6 NSQZMMPMMBEIIA-UHFFFAOYSA-N +HMDB0010412 776.689390682 TG(16:0/14:0/16:1(9Z)) C49H92O6 VUYXIQLBLBPRDY-VOHILQMLSA-N +HMDB0010416 832.75199094 TG(16:0/16:0/18:1(11Z)) C53H100O6 ZKEWGTVAIGJNBK-ZMSSUMMHSA-N +HMDB0010419 774.673740612 TG(16:1(9Z)/14:0/16:1(9Z)) C49H90O6 LGZSJHAMIMLPBP-IKJQKJQYSA-N +HMDB0010432 856.75199094 TG(18:0/16:0/18:3(9Z,12Z,15Z)) C55H100O6 GRVGSTWBCPVINB-KORYJFEASA-N +HMDB0010433 888.814591198 TG(18:0/18:0/18:1(11Z)) C57H108O6 CXVKBFLPGNGMQW-NAWMRHBJSA-N +HMDB0010439 856.75199094 TG(18:1(11Z)/16:0/18:2(9Z,12Z)) C55H100O6 CKVYPEYQBVKVNX-PVTXHSMZSA-N +HMDB0010441 880.75199094 TG(18:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z)) C57H100O6 MZKZFZRBZNYKEI-OJPGLQQHSA-N +HMDB0010442 856.751990932 TG(18:1(11Z)/16:1(9Z)/18:1(11Z)) C55H100O6 BDCYUJLSXCABLJ-BUTYCLJRSA-N +HMDB0010443 856.75199094 TG(18:1(11Z)/16:1(9Z)/18:1(9Z)) C55H100O6 OGWGRVYSSZTIHF-GDLLXJMDSA-N +HMDB0010447 884.783291069 TG(18:1(11Z)/18:0/18:2(9Z,12Z)) C57H104O6 IBHXNCOURWRZLX-BDGWNPADSA-N +HMDB0010450 852.720690811 TG(18:1(9Z)/14:0/20:4(5Z,8Z,11Z,14Z)) C55H96O6 JBTFUWBVCCYOPB-RVHDJDADSA-N +HMDB0010452 884.783291069 TG(18:1(9Z)/16:0/20:2(11Z,14Z)) C57H104O6 TYPSCZYHWXUNQD-HLYOSYIHSA-N +HMDB0010456 882.767641004 TG(18:1(9Z)/18:0/18:3(9Z,12Z,15Z)) C57H102O6 AJZXAAFSXUMAJT-KZWILNJASA-N +HMDB0010457 884.78329106 TG(18:1(9Z)/18:1(11Z)/18:1(9Z)) C57H104O6 VCOQISMTLHMNRY-HGKIKGFLSA-N +HMDB0010458 882.767641004 TG(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)) C57H102O6 DSCHILLYKXFUMK-KJCLFLEFSA-N +HMDB0010459 880.75199094 TG(18:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z)) C57H100O6 GOEUQPTVSLNGLY-BFAXNOOESA-N +HMDB0010460 880.75199094 TG(18:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z)) C57H100O6 OEJXMJPFOHYSIU-KXOAOTBFSA-N +HMDB0010466 940.845891326 TG(18:1(9Z)/18:1(9Z)/22:1(13Z)) C61H112O6 TUJAWJCRCOOMQU-GERDQFRXSA-N +HMDB0010473 852.720690811 TG(18:2(9Z,12Z)/16:0/18:3(9Z,12Z,15Z)) C55H96O6 VFDCLCMTXUEIHM-QCSLZTMBSA-N +HMDB0010474 882.767641004 TG(18:2(9Z,12Z)/16:0/20:2(11Z,14Z)) C57H102O6 HYPYKVIIWHXPAS-BIBJHKLQSA-N +HMDB0010477 880.75199094 TG(18:2(9Z,12Z)/18:0/18:3(9Z,12Z,15Z)) C57H100O6 RRAQCLWYZXSZBE-WGGYTBCTSA-N +HMDB0010479 880.751990932 TG(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z)) C57H100O6 YJBUODNAHDVYLJ-LNZLXKATSA-N +HMDB0010487 930.767641004 TG(18:2(9Z,12Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C61H102O6 BHZWQMNOYPGDNF-NZGDLCEJSA-N +HMDB0010488 928.75199094 TG(18:2(9Z,12Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H100O6 DIVFDZQIIPHWJN-VOCNDMGLSA-N +HMDB0010493 900.720690811 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C59H96O6 ADLPFNWYXJKFQW-OEYGRNRFSA-N +HMDB0010500 900.720690811 TG(18:3(9Z,12Z,15Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C59H96O6 JKKJXOPBDBRBKU-MYMFMJOCSA-N +HMDB0010504 900.720690811 TG(18:3(9Z,12Z,15Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C59H96O6 KSUDLITWNAQVCF-NIIDFXJZSA-N +HMDB0010510 924.720690811 TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H96O6 ACBQPKXRQKGWDK-AXYZTWSQSA-N +HMDB0010511 924.720690811 TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C61H96O6 CUDUJMHSCIYKFW-VEIXBFFSSA-N +HMDB0010525 954.767641004 TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 JEQMHFPQVKBLLQ-RCKJRCKSSA-N +HMDB0010526 952.75199094 TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 PEWDINSOXAERHQ-HBNDJVCZSA-N +HMDB0010527 900.720690811 TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) C59H96O6 DWUCTGPOYZTRAA-DJKQXZPISA-N +HMDB0010528 924.720690811 TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C61H96O6 NHGBUKYRNKUYSP-SRYGDWGVSA-N +HMDB0010529 952.75199094 TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H100O6 AKOYMLIOOBZSET-IXDBBCEUSA-N +HMDB0010531 924.720690811 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) C61H96O6 SPDHJCJAJYRMFV-LBIHDVJCSA-N +HMDB0010532 974.736340876 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H98O6 BOXFBDURIZMSKQ-MZNDNNEASA-N +HMDB0010533 924.720690804 TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C61H96O6 KWSQCBUVZQFFAT-FIMKYDFISA-N +HMDB0010534 952.75199094 TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H100O6 HUAVJWUSPIMCRO-QIYBODIWSA-N +HMDB0010542 954.767640996 TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 PTTJPMSHTWJLSB-NJWNTHTESA-N +HMDB0010543 952.75199094 TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 MDADRLWXQATSON-QHMMTQDXSA-N +HMDB0010544 980.78329106 TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 XRIGAJUVDRNXQG-CRBSXKCRSA-N +HMDB0010545 978.767641004 TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 PKSYBCOQZZXUCU-UIKKEMKKSA-N +HMDB0010546 978.767640996 TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H102O6 ZUNWODIBMWYUGB-SQSZVPJQSA-N +HMDB0010547 976.75199094 TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H100O6 NZZPEUWLSFJAKQ-MPPUJSLMSA-N +HMDB0010548 976.751990932 TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H100O6 CJLFAMUPGLSRFA-YWULFENESA-N +HMDB0010549 974.736340876 TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H98O6 HWXPLSJBUFNUQA-BQADEHQOSA-N +HMDB0010556 978.767640996 TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 SBPDLKMUDWDEFF-KGAICMFLSA-N +HMDB0010557 974.736340868 TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H98O6 MEIOXTFWWGQLIM-YWAUJEJGSA-N +HMDB0010562 1022.736340876 TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C69H98O6 SOFMPBOQLPVEQZ-IGLCCECBSA-N +HMDB0010570 722.509785613 PG(16:0/16:0) C38H75O10P BIABMEZBCHDPBV-MPQUPPDSSA-N +HMDB0010571 720.494135068 PG(16:0/16:1(9Z)) C38H73O10P NOFOTAHTYLXZNV-DCQLZOMZSA-N +HMDB0010573 748.525435196 PG(16:0/18:1(11Z)) C40H77O10P ADYWCMPUNIVOEA-GPJPVTGXSA-N +HMDB0010574 748.525435196 PG(16:0/18:1(9Z)) C40H77O10P PAZGBAOHGQRCBP-HGWHEPCSSA-N +HMDB0010576 744.494135068 PG(16:0/18:3(6Z,9Z,12Z)) C40H73O10P MVHBCRUZHMRQHX-UIWSMAGISA-N +HMDB0010578 772.525435196 PG(16:0/20:3(5Z,8Z,11Z)) C42H77O10P NDGDVGUDTIGKCF-PSQQFKKASA-N +HMDB0010579 772.525435196 PG(16:0/20:3(8Z,11Z,14Z)) C42H77O10P YQISKVDQGRCZBE-WQQWEMLQSA-N +HMDB0010580 770.509785132 PG(16:0/20:4(5Z,8Z,11Z,14Z)) C42H75O10P FBAPNCMXWMGHJY-NYWCEQGFSA-N +HMDB0010593 770.509785132 PG(16:1(9Z)/20:3(5Z,8Z,11Z)) C42H75O10P VWDLPQNBLHJJIU-OILVUHFKSA-N +HMDB0010594 770.509785132 PG(16:1(9Z)/20:3(8Z,11Z,14Z)) C42H75O10P SSJULPPOBKUTHM-MXRJECHTSA-N +HMDB0010605 774.54108526 PG(18:0/18:2(9Z,12Z)) C42H79O10P JPRWHUSRRGNLOV-KKUBIFFLSA-N +HMDB0010606 772.525435196 PG(18:0/18:3(6Z,9Z,12Z)) C42H77O10P AQIAGGRCCDLKEY-MUJLYBRFSA-N +HMDB0010607 772.525435196 PG(18:0/18:3(9Z,12Z,15Z)) C42H77O10P NWLZWBTUOZAKQE-MWIPVWBPSA-N +HMDB0010617 776.556735324 PG(18:1(11Z)/18:0) C42H81O10P HSJNITDXQQDYMJ-KZUSSCLUSA-N +HMDB0010618 774.541085742 PG(18:1(11Z)/18:1(11Z)) C42H79O10P SOLXJHKVRWSNJX-HKFASTTNSA-N +HMDB0010619 774.54108526 PG(18:1(11Z)/18:1(9Z)) C42H79O10P MANUXINXZIXGSR-ZRXIRQNBSA-N +HMDB0010620 772.525435196 PG(18:1(11Z)/18:2(9Z,12Z)) C42H77O10P MFMFDUSGTGUBKM-YRUDZPEDSA-N +HMDB0010621 770.509785132 PG(18:1(11Z)/18:3(6Z,9Z,12Z)) C42H75O10P VSRGIKGINQIKBO-FJNFSWOHSA-N +HMDB0010622 770.509785132 PG(18:1(11Z)/18:3(9Z,12Z,15Z)) C42H75O10P QUMYVZXTAFJZPC-KEXKQFALSA-N +HMDB0010629 820.525435196 PG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H77O10P TZGMUGQUTJEGJC-SMHLWGDZSA-N +HMDB0010632 776.556735324 PG(18:1(9Z)/18:0) C42H81O10P URDBSUCIYKJPCG-INSSKLQOSA-N +HMDB0010633 774.54108526 PG(18:1(9Z)/18:1(11Z)) C42H79O10P NTMBJQYQYMPGRM-MYVKIHSOSA-N +HMDB0010634 774.541085742 PG(18:1(9Z)/18:1(9Z)) C42H79O10P DSNRWDQKZIEDDB-SQYFZQSCSA-N +HMDB0010635 772.525435196 PG(18:1(9Z)/18:2(9Z,12Z)) C42H77O10P FSVTVWTVWNNIQX-MODZKLJDSA-N +HMDB0010636 770.509785132 PG(18:1(9Z)/18:3(6Z,9Z,12Z)) C42H75O10P DZFSSBHYSJDYFN-MNHFJEBCSA-N +HMDB0010637 770.509785132 PG(18:1(9Z)/18:3(9Z,12Z,15Z)) C42H75O10P SPLOPJJVMQWFIT-SILBTBCMSA-N +HMDB0010644 820.525435196 PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H77O10P FZJRPYWBMGYDIA-JJTNLPPNSA-N +HMDB0010648 772.525435196 PG(18:2(9Z,12Z)/18:1(11Z)) C42H77O10P ILTZKQRTHXYCKE-GZPSIAITSA-N +HMDB0010649 772.525435196 PG(18:2(9Z,12Z)/18:1(9Z)) C42H77O10P KBDCFYFMQOAHAN-WUQMUQDBSA-N +HMDB0010650 770.509785132 PG(18:2(9Z,12Z)/18:2(9Z,12Z)) C42H75O10P AKWGRDPPGYFWIW-IYYSTRLISA-N +HMDB0010657 820.525435196 PG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C46H77O10P YVYIXWADRITLPA-VNPFHBCQSA-N +HMDB0010658 820.525435196 PG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C46H77O10P LOQVZAVLOYOOSB-GQEJPCSQSA-N +HMDB0010662 772.525435196 PG(18:3(6Z,9Z,12Z)/18:0) C42H77O10P ZQADGDHEOYNPBN-VLJMGXKQSA-N +HMDB0010663 770.509785132 PG(18:3(6Z,9Z,12Z)/18:1(11Z)) C42H75O10P PDVQNXBAJRBGOS-PCIHCSGPSA-N +HMDB0010664 770.509785132 PG(18:3(6Z,9Z,12Z)/18:1(9Z)) C42H75O10P ABTXGGZXXIHNDW-QLADQEJGSA-N +HMDB0010671 820.525435196 PG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C46H77O10P FCDCKTDFYQEOAD-YQPREKOFSA-N +HMDB0010677 772.525435196 PG(18:3(9Z,12Z,15Z)/18:0) C42H77O10P VMDKDWGHMZQSLV-ZOIXFCGWSA-N +HMDB0010678 770.509785132 PG(18:3(9Z,12Z,15Z)/18:1(11Z)) C42H75O10P UVTOMLLPZLIQLX-NHQSCMECSA-N +HMDB0010679 770.509785132 PG(18:3(9Z,12Z,15Z)/18:1(9Z)) C42H75O10P JOAKZDPNBIREMY-ZKYOWWIASA-N +HMDB0010686 820.525435196 PG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) C46H77O10P ZACXWNLBOWEKJK-YDYSYWMXSA-N +HMDB0010697 555.522659701 Cer(t18:0/16:0) C34H69NO4 IVBULNXGVIHEKN-AUOMWKRBSA-N +HMDB0010730 242.188194698 "3-Oxotetradecanoic acid" C14H26O3 XLKOZYOVXNPWGT-UHFFFAOYSA-N +HMDB0010738 166.049075456 1-Methylxanthine C6H6N4O2 MVOYJPOZRLFTCP-UHFFFAOYSA-N +HMDB0011103 196.059640142 "1,7-Dimethyluric acid" C7H8N4O3 NOFNCLGCUJJPKU-UHFFFAOYSA-N +HMDB0011105 226.070204828 5-Acetylamino-6-formylamino-3-methyluracil C8H10N4O4 RDZNZFGKEVDNPK-UHFFFAOYSA-N +HMDB0011107 182.043990078 "7-Methyluric acid" C6H6N4O3 YHNNPKUFPWLTOP-UHFFFAOYSA-N +HMDB0011130 481.316839407 LysoPE(18:0/0:0) C23H48NO7P BBYWOYAFBUOUFP-JOCHJYFZSA-N +HMDB0011131 358.308309832 MG(18:0/0:0/0:0) C21H42O4 VBICKXHEKHSIBG-FQEVSTJZSA-N +HMDB0011144 424.295376167 LysoPA(18:0e/0:0) C21H45O6P HUUYDUFSUADEJQ-UHFFFAOYSA-N +HMDB0011149 509.384525041 LysoPC(O-18:0) C26H56NO6P XKBJVQHMEXMFDZ-AREMUKBSSA-N +HMDB0011151 743.582890495 PC(O-16:0/18:2(9Z,12Z)) C42H82NO7P IQACMFWAGALEAQ-WESJWMGVSA-N +HMDB0011152 437.290624657 PE(P-16:0e/0:0) C21H44NO6P QYTPGOPLNFESQC-NUTQULCTSA-N +HMDB0011154 394.248425492 LysoPA(P-16:0e/0:0) C19H39O6P LBGSRVIXIVDRQM-OAXWQBPPSA-N +HMDB0011170 260.137221752 gamma-Glutamylisoleucine C11H20N2O5 SNCKGJWJABDZHI-ZKWXMUAHSA-N +HMDB0011171 260.13722176 gamma-Glutamylleucine C11H20N2O5 MYFMARDICOWMQP-YUMQZZPRSA-N +HMDB0011172 246.121571688 gamma-Glutamylvaline C10H18N2O5 AQAKHZVPOOGUCK-XPUUQOCRSA-N +HMDB0011175 228.147392516 Leucylproline C11H20N2O3 VTJUNIYRYIAIHF-UHFFFAOYSA-N +HMDB0011177 262.131742448 Phenylalanylproline C14H18N2O3 WEQJQNWXCSUVMA-RYUDHWBXSA-N +HMDB0011178 172.08479226 Prolylglycine C7H12N2O3 RNKSNIBMTUYWSH-UHFFFAOYSA-N +HMDB0011179 262.131742452 Prolylphenylalanine C14H18N2O3 IWIANZLCJVYEFX-UHFFFAOYSA-N +HMDB0011188 638.5485401 TG(12:0/12:0/12:0) C39H74O6 VMPHSYLJUKZBJJ-UHFFFAOYSA-N +HMDB0011201 837.624755309 PC(20:3(8Z,11Z,14Z)/20:1(11Z)) C48H88NO8P LZXZOHSYOCWXFB-DWTYVZKUSA-N +HMDB0011202 841.656055437 PC(22:1(13Z)/18:1(11Z)) C48H92NO8P VMYYPARBVHMEFG-WQZYGQBESA-N +HMDB0011203 689.535940303 PC(P-16:0/14:0) C38H76NO7P SOUFUEMRDVBNJD-APMJBGCSSA-N +HMDB0011206 717.567240431 PC(P-16:0/16:0) C40H80NO7P PEWXKAOBUSBJLD-MCBGMKGZSA-N +HMDB0011207 715.551590367 PC(P-16:0/16:1(9Z)) C40H78NO7P FZMYLOBGNYZPQO-QLSONYGBSA-N +HMDB0011209 743.582890495 PC(P-16:0/18:1(11Z)) C42H82NO7P MVDFTRYOOPZXII-JEPFLRBFSA-N +HMDB0011210 743.582890495 PC(P-16:0/18:1(9Z)) C42H82NO7P CRBBMHQTIAELIS-KQBBALDBSA-N +HMDB0011211 741.567240431 PC(P-16:0/18:2(9Z,12Z)) C42H80NO7P QLEHHUPUHJPURI-PWYDUFMYSA-N +HMDB0011212 739.551590367 PC(P-16:0/18:3(6Z,9Z,12Z)) C42H78NO7P MNOGOEJZCHBAEJ-LGHFGPIWSA-N +HMDB0011213 739.551590367 PC(P-16:0/18:3(9Z,12Z,15Z)) C42H78NO7P WXQJKOUXCWEMOK-LUPMRSKMSA-N +HMDB0011214 737.535940303 PC(P-16:0/18:4(6Z,9Z,12Z,15Z)) C42H76NO7P DFANIYFZNIJQEP-FAVOOIQCSA-N +HMDB0011215 773.629840687 PC(P-16:0/20:0) C44H88NO7P HGGMAPXNHACWRM-PHHYKNGOSA-N +HMDB0011216 771.614190623 PC(P-16:0/20:1(11Z)) C44H86NO7P WXILBCFZIXHZIG-KOUVQCMKSA-N +HMDB0011217 769.598540559 PC(P-16:0/20:2(11Z,14Z)) C44H84NO7P DORCYMODRHDYER-VTLIZAISSA-N +HMDB0011218 767.582890495 PC(P-16:0/20:3(5Z,8Z,11Z)) C44H82NO7P XWYIIYJIVUGRQE-YDGSBDHOSA-N +HMDB0011219 767.582890495 PC(P-16:0/20:3(8Z,11Z,14Z)) C44H82NO7P SWWXTMWKIUVGCD-NXTBAPBJSA-N +HMDB0011221 765.567240431 PC(P-16:0/20:4(8Z,11Z,14Z,17Z)) C44H80NO7P FYYVVICAMXUASI-YEHIGFSXSA-N +HMDB0011223 801.661140815 PC(P-16:0/22:0) C46H92NO7P RWOMITBJCKQBQB-ZUELBQRLSA-N +HMDB0011224 799.645490751 PC(P-16:0/22:1(13Z)) C46H90NO7P CJDGKVVSPZVIEB-NYALRLSRSA-N +HMDB0011226 793.598540559 PC(P-16:0/22:4(7Z,10Z,13Z,16Z)) C46H84NO7P DQZNSYOOQMCBDC-PZVMGWTJSA-N +HMDB0011227 791.582890495 PC(P-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C46H82NO7P FAKYQMLQEAQOLK-LHZZQLRFSA-N +HMDB0011229 789.567240431 PC(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H80NO7P QICWUUGBNFIZAZ-VEOGPPBOSA-N +HMDB0011230 829.692440943 PC(P-16:0/24:0) C48H96NO7P GADWRGZCWDFELP-SATDTQGDSA-N +HMDB0011231 827.676790879 PC(P-16:0/24:1(15Z)) C48H94NO7P MFWRQYURIQTOKU-FIXDCBGKSA-N +HMDB0011234 727.587976362 PC(P-16:0/P-18:1(11Z)) C42H82NO6P OKKXTXQOJMLVPP-JLFFLFAUSA-N +HMDB0011235 727.587976362 PC(P-16:0/P-18:1(9Z)) C42H82NO6P XNZRITUHRJESOL-BCZCSWKFSA-N +HMDB0011237 715.551590367 PC(P-18:0/14:1(9Z)) C40H78NO7P YCWPYAHFDSLECT-ZFHQVLSYSA-N +HMDB0011240 743.582890495 PC(P-18:0/16:1(9Z)) C42H82NO7P KMNVIRCHUMQGHD-RCINKDPXSA-N +HMDB0011241 773.629840687 PC(P-18:0/18:0) C44H88NO7P HCBLXOORGBFPGF-PHHYKNGOSA-N +HMDB0011242 771.614190623 PC(P-18:0/18:1(11Z)) C44H86NO7P JDTHSYITWRQVSV-CESBNGMCSA-N +HMDB0011243 771.614190623 PC(P-18:0/18:1(9Z)) C44H86NO7P DSWOVBIRJNAJAF-NVJOKYTBSA-N +HMDB0011244 769.598540559 PC(P-18:0/18:2(9Z,12Z)) C44H84NO7P PWPOLLAYFXIWOQ-PXSMKGAESA-N +HMDB0011245 767.582890495 PC(P-18:0/18:3(6Z,9Z,12Z)) C44H82NO7P QQZAQKGMSREYHF-KDEBBMLKSA-N +HMDB0011246 767.582890495 PC(P-18:0/18:3(9Z,12Z,15Z)) C44H82NO7P PYVYDRMXPDZRIS-FINMKEMFSA-N +HMDB0011247 765.567240431 PC(P-18:0/18:4(6Z,9Z,12Z,15Z)) C44H80NO7P KDEGUFHTTWTTCT-XMVXZYCSSA-N +HMDB0011248 801.661140815 PC(P-18:0/20:0) C46H92NO7P QWVYUFKGZQQYHH-ZUELBQRLSA-N +HMDB0011249 799.645490751 PC(P-18:0/20:1(11Z)) C46H90NO7P FKMPXOIFOMUSIR-DRXVJJSWSA-N +HMDB0011251 795.614190623 PC(P-18:0/20:3(5Z,8Z,11Z)) C46H86NO7P GDXHWAGFLXXWJB-FJXNGXPBSA-N +HMDB0011252 795.614190623 PC(P-18:0/20:3(8Z,11Z,14Z)) C46H86NO7P LIRPHCPLRLOMHJ-ABWFFGIPSA-N +HMDB0011253 793.598540559 PC(P-18:0/20:4(5Z,8Z,11Z,14Z)) C46H84NO7P FHHVIBPVBBRLOR-IYACIECVSA-N +HMDB0011254 793.598540559 PC(P-18:0/20:4(8Z,11Z,14Z,17Z)) C46H84NO7P YPAPIRJFGNBODV-AMFPDOHCSA-N +HMDB0011255 791.582890495 PC(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C46H82NO7P JUCWIWDODRNWRN-REKGFNPQSA-N +HMDB0011256 829.692440943 PC(P-18:0/22:0) C48H96NO7P ODWWPXNLOCQPJK-SATDTQGDSA-N +HMDB0011257 827.676790879 PC(P-18:0/22:1(13Z)) C48H94NO7P LKWFUNFGOVKKFF-FIXDCBGKSA-N +HMDB0011258 825.661140815 PC(P-18:0/22:2(13Z,16Z)) C48H92NO7P QUSDYMYZGNKBRR-SHODKSNWSA-N +HMDB0011259 821.629840687 PC(P-18:0/22:4(7Z,10Z,13Z,16Z)) C48H88NO7P VDLGCGQWZPLRIL-PRDDZFMDSA-N +HMDB0011262 817.598540559 PC(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H84NO7P TXHZYNSTTCIWMJ-RXSQUPBGSA-N +HMDB0011263 857.723741071 PC(P-18:0/24:0) C50H100NO7P WVAUMWIKPCJONT-SMXHJUKLSA-N +HMDB0011264 855.708091007 PC(P-18:0/24:1(15Z)) C50H98NO7P FBDSXWIHBJVKBS-LFSKQVNVSA-N +HMDB0011267 755.619276491 PC(P-18:0/P-18:1(11Z)) C44H86NO6P DEVPFGKZYDKHPW-HAZBOWNZSA-N +HMDB0011268 755.619276491 PC(P-18:0/P-18:1(9Z)) C44H86NO6P WMOITMSBEGXTBM-XFCCLYIASA-N +HMDB0011269 715.551590367 PC(P-18:1(11Z)/14:0) C40H78NO7P AUJFUAPYFYTPDF-BCVQPGMVSA-N +HMDB0011270 713.535940303 PC(P-18:1(11Z)/14:1(9Z)) C40H76NO7P BVSQFXUBMXTYRK-KPQUGMKHSA-N +HMDB0011272 743.582890495 PC(P-18:1(11Z)/16:0) C42H82NO7P MBRHHFWRXQYYAN-RTVLTNFHSA-N +HMDB0011273 741.567240431 PC(P-18:1(11Z)/16:1(9Z)) C42H80NO7P MKSPXEKLAWXUQB-YZISGTAMSA-N +HMDB0011274 771.614190623 PC(P-18:1(11Z)/18:0) C44H86NO7P JYHADTSONAUXLU-NMAVXMHBSA-N +HMDB0011275 769.598540559 PC(P-18:1(11Z)/18:1(11Z)) C44H84NO7P SOSODLPIZNSISY-WDMTWABASA-N +HMDB0011276 769.598540559 PC(P-18:1(11Z)/18:1(9Z)) C44H84NO7P AUUCOMCTAAUNNA-ASBBCAPCSA-N +HMDB0011277 767.582890495 PC(P-18:1(11Z)/18:2(9Z,12Z)) C44H82NO7P ABOXWZCNWOBUEO-DNRJJOHKSA-N +HMDB0011278 765.567240431 PC(P-18:1(11Z)/18:3(6Z,9Z,12Z)) C44H80NO7P RWVKPDIHPPTVRQ-HWGQMOSASA-N +HMDB0011279 765.567240431 PC(P-18:1(11Z)/18:3(9Z,12Z,15Z)) C44H80NO7P JPNFMUKASUYGCK-ZXWSQSGJSA-N +HMDB0011280 763.551590367 PC(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C44H78NO7P DBMSAJFSJLCYLI-YAYDGDQKSA-N +HMDB0011281 799.645490751 PC(P-18:1(11Z)/20:0) C46H90NO7P IDLUMGMMMVTISV-MFQJCYCWSA-N +HMDB0011283 795.614190623 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771.614190623 PC(P-18:1(9Z)/18:0) C44H86NO7P ZOTYCHIFTCFAHC-KOUVQCMKSA-N +HMDB0011308 769.598540559 PC(P-18:1(9Z)/18:1(11Z)) C44H84NO7P PQIJYJGVCKCIRT-YLCPJMBASA-N +HMDB0011309 769.598540559 PC(P-18:1(9Z)/18:1(9Z)) C44H84NO7P DIHWZUCEXWUHOD-IIVNATNGSA-N +HMDB0011310 767.582890495 PC(P-18:1(9Z)/18:2(9Z,12Z)) C44H82NO7P GCJSAIGGRCSHDG-UWGOCUKWSA-N +HMDB0011311 765.567240431 PC(P-18:1(9Z)/18:3(6Z,9Z,12Z)) C44H80NO7P UMVUERLCXMUMBK-DSXXCHKPSA-N +HMDB0011312 765.567240431 PC(P-18:1(9Z)/18:3(9Z,12Z,15Z)) C44H80NO7P ACSIRQPNAYTBRW-CBOVKQJBSA-N +HMDB0011313 763.551590367 PC(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C44H78NO7P UMDQTGZSPMWPID-CYNKDJQJSA-N +HMDB0011314 799.645490751 PC(P-18:1(9Z)/20:0) C46H90NO7P QRKPRYUOVGQVHV-MOVUKYBSSA-N +HMDB0011316 795.614190623 PC(P-18:1(9Z)/20:2(11Z,14Z)) C46H86NO7P GWBOVQHRCURSPU-QMFAPAEZSA-N +HMDB0011317 793.598540559 PC(P-18:1(9Z)/20:3(5Z,8Z,11Z)) C46H84NO7P CJYQPRLJFDUQJN-XDCBNNJESA-N +HMDB0011318 793.598540559 PC(P-18:1(9Z)/20:3(8Z,11Z,14Z)) C46H84NO7P 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WCSDULLQTPYJFU-CSASKLPHSA-N +HMDB0011407 727.551590367 PE(P-18:1(11Z)/18:1(11Z)) C41H78NO7P URRCZPXKAKNTHV-NZWMGPRYSA-N +HMDB0011408 727.551590367 PE(P-18:1(11Z)/18:1(9Z)) C41H78NO7P VXAQICWVKHYAOM-LQNIOAHJSA-N +HMDB0011413 757.598540559 PE(P-18:1(11Z)/20:0) C43H84NO7P QEDROTQEMCQUNE-QSKLCZHJSA-N +HMDB0011414 755.582890495 PE(P-18:1(11Z)/20:1(11Z)) C43H82NO7P VQMPZNPOSKPGTN-CGPNWZOFSA-N +HMDB0011424 777.567240431 PE(P-18:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C45H80NO7P DZPHTQGGRSWHLG-USOCFQKQSA-N +HMDB0011439 729.567240431 PE(P-18:1(9Z)/18:0) C41H80NO7P OBAAWAYLQLYWNN-KHFVPPDWSA-N +HMDB0011440 727.551590367 PE(P-18:1(9Z)/18:1(11Z)) C41H78NO7P CCSPRYPUMQZSKU-UJUPZVJJSA-N +HMDB0011441 727.551590367 PE(P-18:1(9Z)/18:1(9Z)) C41H78NO7P CFANDHZPOSNKNO-UDHSZFGOSA-N +HMDB0011446 757.598540559 PE(P-18:1(9Z)/20:0) C43H84NO7P BOIHDLQLPRODPV-PFGXKIITSA-N +HMDB0011447 755.582890495 PE(P-18:1(9Z)/20:1(11Z)) C43H82NO7P CJTMZOOUZQGAPV-WLKREVAWSA-N +HMDB0011457 777.567240431 PE(P-18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C45H80NO7P PQEYJXRJLFZSPT-ZGMVDJDGSA-N +HMDB0011469 74.073164942 2-Butanol C4H10O BTANRVKWQNVYAZ-UHFFFAOYSA-N +HMDB0011473 453.285539279 LysoPE(0:0/16:0) C21H44NO7P CKPBBEOJHAPPBT-HXUWFJFHSA-N +HMDB0011475 479.301189343 LysoPE(0:0/18:1(11Z)) C23H46NO7P CZYOFWNORPEFDG-KOIKXXGWSA-N +HMDB0011476 479.301189343 LysoPE(0:0/18:1(9Z)) C23H46NO7P NOVZJYYJYIFXJC-MZMPXXGTSA-N +HMDB0011478 475.269889215 LysoPE(0:0/18:3(6Z,9Z,12Z)) C23H42NO7P QYXNIRQICOBIAE-CSLWLMPESA-N +HMDB0011483 505.316839407 LysoPE(0:0/20:2(11Z,14Z)) C25H48NO7P NHBRVTKHMMOYTG-XBJNFHHOSA-N +HMDB0011500 425.254239151 LysoPE(14:0/0:0) C19H40NO7P RPXHXZNGZBHSMJ-GOSISDBHSA-N +HMDB0011502 439.269889215 LysoPE(15:0/0:0) C20H42NO7P FGHPDPYCRTXYNZ-LJQANCHMSA-N +HMDB0011503 453.285539279 LysoPE(16:0/0:0) C21H44NO7P YVYMBNSKXOXSKW-HXUWFJFHSA-N +HMDB0011505 479.301189343 LysoPE(18:1(11Z)/0:0) C23H46NO7P WAYKKNOEMJFLDI-KOIKXXGWSA-N +HMDB0011506 479.301189343 LysoPE(18:1(9Z)/0:0) C23H46NO7P PYVRVRFVLRNJLY-MZMPXXGTSA-N +HMDB0011507 477.285539279 LysoPE(18:2(9Z,12Z)/0:0) C23H44NO7P DBHKHNGBVGWQJE-USWSLJGRSA-N +HMDB0011513 505.316839407 LysoPE(20:2(11Z,14Z)/0:0) C25H48NO7P QJHRNPQXCMXOOH-XBJNFHHOSA-N +HMDB0011530 302.245709576 MG(0:0/14:0/0:0) C17H34O4 TVIMZSOUQXNWHO-UHFFFAOYSA-N +HMDB0011531 300.230059512 MG(0:0/14:1(9Z)/0:0) C17H32O4 UETKPVCPWANBPE-WAYWQWQTSA-N +HMDB0011532 316.26135964 MG(0:0/15:0/0:0) C18H36O4 SJUYTIGRIZBTCI-UHFFFAOYSA-N +HMDB0011533 330.277009704 MG(0:0/16:0/0:0) C19H38O4 BBNYCLAREVXOSG-UHFFFAOYSA-N +HMDB0011534 328.26135964 MG(0:0/16:1(9Z)/0:0) C19H36O4 CXUXMSACCLYMBI-FPLPWBNLSA-N +HMDB0011535 358.308309832 MG(0:0/18:0/0:0) C21H42O4 YQEMORVAKMFKLG-UHFFFAOYSA-N +HMDB0011536 356.292659768 MG(0:0/18:1(11Z)/0:0) C21H40O4 OTDARJOVCLILGQ-FPLPWBNLSA-N +HMDB0011537 356.292659768 MG(0:0/18:1(9Z)/0:0) C21H40O4 UPWGQKDVAURUGE-KTKRTIGZSA-N +HMDB0011538 354.277009704 MG(0:0/18:2(9Z,12Z)/0:0) C21H38O4 IEPGNWMPIFDNSD-HZJYTTRNSA-N +HMDB0011539 352.26135964 MG(0:0/18:3(6Z,9Z,12Z)/0:0) C21H36O4 BXAXVVVVPFELOK-QNEBEIHSSA-N +HMDB0011540 352.26135964 MG(0:0/18:3(9Z,12Z,15Z)/0:0) C21H36O4 ZCCLDKGWJIREQF-PDBXOOCHSA-N +HMDB0011541 350.245709576 MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0) C21H34O4 WNCUAIVHPMNYAK-LTKCOYKYSA-N +HMDB0011542 386.33960996 MG(0:0/20:0/0:0) C23H46O4 KECCPKLXQUOWMI-UHFFFAOYSA-N +HMDB0011543 384.323959896 MG(0:0/20:1(11Z)/0:0) C23H44O4 YRAZXZXQMMJRRV-KTKRTIGZSA-N +HMDB0011544 382.308309832 MG(0:0/20:2(11Z,14Z)/0:0) C23H42O4 PMJSUEZTCFTBMD-HZJYTTRNSA-N +HMDB0011546 380.292659768 MG(0:0/20:3(5Z,8Z,11Z)/0:0) C23H40O4 CRSKSGIHJXUIHD-YOILPLPUSA-N +HMDB0011547 380.292659768 MG(0:0/20:3(8Z,11Z,14Z)/0:0) C23H40O4 FHCHFKIVIFQBSC-QNEBEIHSSA-N +HMDB0011549 378.277009704 MG(0:0/20:4(8Z,11Z,14Z,17Z)/0:0) C23H38O4 JCKNHZDBFKYTQU-LTKCOYKYSA-N +HMDB0011550 376.26135964 MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C23H36O4 IXSYVBCFIGEECR-JLNKQSITSA-N +HMDB0011551 414.370910088 MG(0:0/22:0/0:0) C25H50O4 DNULQWTYMFQUHB-UHFFFAOYSA-N +HMDB0011552 412.355260024 MG(0:0/22:1(13Z)/0:0) C25H48O4 TZDOBCZHGBGJLS-KTKRTIGZSA-N +HMDB0011553 410.33960996 MG(0:0/22:2(13Z,16Z)/0:0) C25H46O4 PFISEVUKDJTNGO-HZJYTTRNSA-N +HMDB0011554 406.308309832 MG(0:0/22:4(7Z,10Z,13Z,16Z)/0:0) C25H42O4 DVYDCUGIJCYIQN-DOFZRALJSA-N +HMDB0011555 404.292659768 MG(0:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C25H40O4 NPZWSBAEZZLYQU-WMPRHZDHSA-N +HMDB0011556 404.292659768 MG(0:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C25H40O4 LRBJILYYDLUADN-JLNKQSITSA-N +HMDB0011557 402.277009704 MG(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C25H38O4 NHNGEAQTTQPSCX-KUBAVDMBSA-N +HMDB0011558 442.402210216 MG(0:0/24:0/0:0) C27H54O4 SNMGFBFZTAYEBF-UHFFFAOYSA-N +HMDB0011559 440.386560152 MG(0:0/24:1(15Z)/0:0) C27H52O4 HXZFYDGMORCWCA-KTKRTIGZSA-N +HMDB0011561 302.245709576 MG(14:0/0:0/0:0) C17H34O4 DCBSHORRWZKAKO-INIZCTEOSA-N +HMDB0011562 300.230059512 MG(14:1(9Z)/0:0/0:0) C17H32O4 ARCRKLOZHGPFFJ-KJPDOMRESA-N +HMDB0011563 316.26135964 MG(15:0/0:0/0:0) C18H36O4 QSKPZDMBULYMDQ-KRWDZBQOSA-N +HMDB0011564 330.277009704 MG(16:0/0:0/0:0) C19H38O4 QHZLMUACJMDIAE-SFHVURJKSA-N +HMDB0011565 328.26135964 MG(16:1(9Z)/0:0/0:0) C19H36O4 KVYUBFKSKZWZSV-ZEVQVBBLSA-N +HMDB0011566 356.292659768 MG(18:1(11Z)/0:0/0:0) C21H40O4 KJHYUSLWTPMFTN-AQWUKCDYSA-N +HMDB0011567 356.292659768 MG(18:1(9Z)/0:0/0:0) C21H40O4 RZRNAYUHWVFMIP-QJRAZLAKSA-N +HMDB0011568 354.277009704 MG(18:2(9Z,12Z)/0:0/0:0) C21H38O4 WECGLUPZRHILCT-GSNKCQISSA-N +HMDB0011569 352.26135964 MG(18:3(6Z,9Z,12Z)/0:0/0:0) C21H36O4 XQBHBEXBUZDCRY-FFXVNFNPSA-N +HMDB0011570 352.26135964 MG(18:3(9Z,12Z,15Z)/0:0/0:0) C21H36O4 GGJRAQULURVTAJ-IWFQAGGASA-N +HMDB0011571 350.245709576 MG(18:4(6Z,9Z,12Z,15Z)/0:0/0:0) C21H34O4 YICVZGXPPMTJCG-LIYQNMAISA-N +HMDB0011572 386.33960996 MG(20:0/0:0/0:0) C23H46O4 UMEKPPOFCOUEDT-QFIPXVFZSA-N +HMDB0011573 384.323959896 MG(20:1(11Z)/0:0/0:0) C23H44O4 HPTOSMWVVSKAGZ-DYYZXQNHSA-N +HMDB0011574 382.308309832 MG(20:2(11Z,14Z)/0:0/0:0) C23H42O4 QRBGFYBOCBYOSN-KDTZXJSHSA-N +HMDB0011576 380.292659768 MG(20:3(5Z,8Z,11Z)/0:0/0:0) C23H40O4 NXOGCYSVLAIYAP-UXNAVHBBSA-N +HMDB0011577 380.292659768 MG(20:3(8Z,11Z,14Z)/0:0/0:0) C23H40O4 LERKRWCYZNDWFH-YYRPCZOWSA-N +HMDB0011578 378.277009704 MG(20:4(5Z,8Z,11Z,14Z)/0:0/0:0) C23H38O4 DCPCOKIYJYGMDN-HUDVFFLJSA-N +HMDB0011579 378.277009704 MG(20:4(8Z,11Z,14Z,17Z)/0:0/0:0) C23H38O4 LWXLRBPWKGXXED-FZLOBDGKSA-N +HMDB0011580 376.26135964 MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0) C23H36O4 DFRRSBYSSXKROX-GABUGCEHSA-N +HMDB0011581 414.370910088 MG(22:0/0:0/0:0) C25H50O4 OKMWKBLSFKFYGZ-DEOSSOPVSA-N +HMDB0011582 412.355260024 MG(22:1(13Z)/0:0/0:0) C25H48O4 ZXNAIPHYBVMMPY-DHSLYTQISA-N +HMDB0011583 410.33960996 MG(22:2(13Z,16Z)/0:0/0:0) C25H46O4 UCYPOAPUDLUXQX-VXOKBQSKSA-N +HMDB0011584 406.308309832 MG(22:4(7Z,10Z,13Z,16Z)/0:0/0:0) C25H42O4 UDZUDFKFJCAENZ-UGLSNKNVSA-N +HMDB0011585 404.292659768 MG(22:5(4Z,7Z,10Z,13Z,16Z)/0:0/0:0) C25H40O4 HDIQCISTZKHUDO-AJWITYRPSA-N +HMDB0011586 404.292659768 MG(22:5(7Z,10Z,13Z,16Z,19Z)/0:0/0:0) C25H40O4 IDSLCYURGAOTOA-YAWQMZOFSA-N +HMDB0011587 402.277009704 MG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/0:0) C25H38O4 JWPHORDRFVRZPP-PJEZTNATSA-N +HMDB0011588 442.402210216 MG(24:0/0:0/0:0) C27H54O4 KIWLCEXSSGNBJU-SANMLTNESA-N +HMDB0011589 440.386560152 MG(24:1(15Z)/0:0/0:0) C27H52O4 NVQGQHXFWUBOAU-IMHHWWNFSA-N +HMDB0011593 917.680342131 "Lactosylcermide (d18:1/20:0)" C50H95NO13 FGJIXPPBZNPEHW-CRMMDXJYSA-N +HMDB0011594 945.711642259 "Lactosylceramide (d18:1/22:0)" C52H99NO13 QYWVASPEUXEHSY-NNRNTGNWSA-N +HMDB0011616 329.052519653 "Adenosine 2',3'-cyclic phosphate" C10H12N5O6P KMYWVDDIPVNLME-UHFFFAOYSA-N +HMDB0011623 156.151415262 Decanal C10H20O KSMVZQYAVGTKIV-UHFFFAOYSA-N +HMDB0011624 158.167065326 "Decyl alcohol " C10H22O MWKFXSUHUHTGQN-UHFFFAOYSA-N +HMDB0011626 186.198365454 Dodecanol C12H26O LQZZUXJYWNFBMV-UHFFFAOYSA-N +HMDB0011632 182.07903818 L-Iditol C6H14O6 FBPFZTCFMRRESA-UNTFVMJOSA-N +HMDB0011635 188.014329434 "p-Cresol sulfate" C7H8O4S WGNAKZGUSRVWRH-UHFFFAOYSA-N +HMDB0011638 214.229665582 Tetradecanol C14H30O HLZKNKRTKFSKGZ-UHFFFAOYSA-N +HMDB0011640 306.02530185 "Uridine 2',3'-cyclic phosphate " C9H11N2O8P HWDMHJDYMFRXOX-XVFCMESISA-N +HMDB0011667 204.074621504 gamma-Glutamylglycine C7H12N2O5 ACIJGUBIMXQCMF-BYPYZUCNSA-N +HMDB0011698 843.731900454 SM(d18:1/26:0) C49H100N2O6P VRAWSAPVSSLIRI-MVUJCARGSA-O +HMDB0011701 842.736340876 TG(15:0/16:0/20:3(8Z,11Z,14Z)) C54H98O6 NVBSJAZGISYRIW-GGVKXYRHSA-N +HMDB0011704 842.736340876 TG(15:0/18:0/18:3(9Z,12Z,15Z)) C54H98O6 QELMLHKKGIZABI-DSCMALIJSA-N +HMDB0011708 842.736340876 TG(15:0/18:1(9Z)/18:2(9Z,12Z)) C54H98O6 AFUGNQFGFOCTMS-RVTXQWIBSA-N +HMDB0011718 122.036779436 4-Hydroxybenzaldehyde C7H6O2 RGHHSNMVTDWUBI-UHFFFAOYSA-N +HMDB0011724 124.0524295 "4-Hydroxybenzyl alcohol" C7H8O2 BVJSUAQZOZWCKN-UHFFFAOYSA-N +HMDB0011731 194.042652674 5-Keto-D-gluconate C6H10O7 IZSRJDGCGRAUAR-UHFFFAOYSA-N +HMDB0011732 194.042652674 2-Keto-L-gluconate C6H10O7 VBUYCZFBVCCYFD-UHFFFAOYSA-N +HMDB0011733 132.053492132 Glycyl-glycine C4H8N2O3 YMAWOPBAYDPSLA-UHFFFAOYSA-N +HMDB0011737 276.095750876 "gamma-Glutamylglutamic acid" C10H16N2O7 OWQDWQKWSLFFFR-WDSKDSINSA-N +HMDB0011738 275.111735291 N2-gamma-Glutamylglutamine C10H17N3O6 JBFYFLXEJFQWMU-WDSKDSINSA-N +HMDB0011741 310.116486318 gamma-Glutamyltyrosine C14H18N2O6 VVLXCWVSSLFQDS-QWRGUYRKSA-N +HMDB0011745 191.061613977 N-Acetyl-L-methionine C7H13NO3S XUYPXLNMDZIRQH-UHFFFAOYSA-N +HMDB0011747 125.024179639 Ciliatine C2H8NO3P QQVDJLLNRSOCEL-UHFFFAOYSA-N +HMDB0011749 99.068413915 2-Piperidinone C5H9NO XUWHAWMETYGRKB-UHFFFAOYSA-N +HMDB0011756 173.105193351 N-Acetylleucine C8H15NO3 WXNXCEHXYPACJF-ZETCQYMHSA-N +HMDB0011757 159.089543287 N-Acetylvaline C7H13NO3 IHYJTAOFMMMOPX-UHFFFAOYSA-N +HMDB0011760 539.527745079 Cer(d18:0/16:0) C34H69NO3 GCGTXOVNNFGTPQ-JHOUSYSJSA-N +HMDB0011761 567.559045207 Cer(d18:0/18:0) C36H73NO3 KZTJQXAANJHSCE-OIDHKYIRSA-N +HMDB0011764 595.590345335 Cer(d18:0/20:0) C38H77NO3 ZWAUSWHRQBSECP-PQQNNWGCSA-N +HMDB0011765 623.621645463 Cer(d18:0/22:0) C40H81NO3 SXPRAKSDHOEHIG-ZESVVUHVSA-N +HMDB0011767 637.637295527 Cer(d18:0/23:0) C41H83NO3 FTSDYFFYZJTACJ-IOLBBIBUSA-N +HMDB0011768 651.652945591 Cer(d18:0/24:0) C42H85NO3 BPLYVSYSBPLDOA-WVILEFPPSA-N +HMDB0011770 665.668595655 Cer(d18:0/25:0) C43H87NO3 HCDLRJUFVJOBJP-ACEXITHZSA-N +HMDB0011771 679.684245719 Cer(d18:0/26:0) C44H89NO3 NWERZHCPHDHUMO-WZYYJWNZSA-N +HMDB0012085 676.551924718 SM(d18:0/14:0) C37H77N2O6P MJAFYELZQYPMQG-MPQUPPDSSA-N +HMDB0012087 732.614524974 SM(d18:0/18:0) C41H85N2O6P JCELSEVNSMXGKA-IOLBBIBUSA-N +HMDB0012088 730.59887491 SM(d18:0/18:1(11Z)) C41H83N2O6P HHAUPBIWIXBMEU-MMVRYLQTSA-N +HMDB0012089 730.59887491 SM(d18:0/18:1(9Z)) C41H83N2O6P XYLWKHKCYHMVMA-RVPJYPCXSA-N +HMDB0012090 760.645825102 SM(d18:0/20:0) C43H89N2O6P UGRZESKDAPEULH-ACEXITHZSA-N +HMDB0012091 788.67712523 SM(d18:0/22:0) C45H93N2O6P FONAXCRWZQFJHY-JCGOJSMZSA-N +HMDB0012094 816.708425358 SM(d18:0/24:0) C47H97N2O6P SMJLGESYPKPRNU-CRCOQUFZSA-N +HMDB0012097 674.536274654 SM(d18:1/14:0) C37H75N2O6P KYICBZWZQPCUMO-PSALXKTOSA-N +HMDB0012101 728.583224846 SM(d18:1/18:1(9Z)) C41H81N2O6P NBEADXWAAWCCDG-QDDWGVBQSA-N +HMDB0012102 758.630175038 SM(d18:1/20:0) C43H87N2O6P AADLTHQNYQJHQV-SVLGDMRNSA-N +HMDB0012103 786.661475166 SM(d18:1/22:0) C45H91N2O6P FJJANLYCZUNFSE-TWKUQIQBSA-N +HMDB0012105 800.67712523 SM(d18:1/23:0) C46H93N2O6P SXZWBNWTCVLZJN-NMIJJABPSA-N +HMDB0012107 812.67712523 SM(d18:1/24:1(15Z)) C47H93N2O6P WKZHECFHXLTOLJ-QYKFWSDSSA-N +HMDB0012108 509.348139535 LysoPC(17:0) C25H52NO7P SRRQPVVYXBTRQK-XMMPIXPASA-N +HMDB0012141 134.057908808 (R)-2,3-Dihydroxy-isovalerate C5H10O4 JTEYKUFKXGDTEU-VKHMYHEASA-N +HMDB0012154 159.089543287 3-Dehydrocarnitine C7H13NO3 YNOWULSFLVIUDH-UHFFFAOYSA-N +HMDB0012157 84.057514878 3-Methyl-2-butenal C5H8O SEPQTYODOKLVSB-UHFFFAOYSA-N +HMDB0012166 430.344695338 4alpha-Carboxy-5alpha-cholesta-8-en-3beta-ol C28H46O3 RODBXVVNKJCWQR-KLZNZPMLSA-N +HMDB0012225 164.047344122 Enol-phenylpyruvate C9H8O3 DEDGUGJNLNLJSR-VURMDHGXSA-N +HMDB0012252 323.282429433 "Linoleoyl ethanolamide" C20H37NO2 KQXDGUVSAAQARU-HZJYTTRNSA-N +HMDB0012273 255.256214683 "Palmitic amide" C16H33NO HSEMFIZWXHQJAE-UHFFFAOYSA-N +HMDB0012275 121.089149357 Phenylethylamine C8H11N BHHGXPLMPWCGHP-UHFFFAOYSA-N +HMDB0012308 152.047344122 Vanillin C8H8O3 MWOOGOJBHIARFG-UHFFFAOYSA-N +HMDB0012328 254.224580204 "Palmitelaidic acid" C16H30O2 SECPZKHBENQXJG-BQYQJAHWSA-N +HMDB0012336 731.473733977 PS(14:0/18:2(9Z,12Z)) C38H70NO10P QPLGPOYWQGNODB-OPLANILISA-N +HMDB0012338 757.489384041 PS(14:0/20:3(8Z,11Z,14Z)) C40H72NO10P FGWZGYGIIUCSFO-HNOMVOJUSA-N +HMDB0012346 731.473733977 PS(14:1(9Z)/18:1(9Z)) C38H70NO10P QBNCFMDNNPQYIL-NTEBNZJHSA-N +HMDB0012359 757.489384041 PS(16:0/18:3(9Z,12Z,15Z)) C40H72NO10P GRXQVLCZJYBDDD-HPYWTVDESA-N +HMDB0012360 785.520684169 PS(16:0/20:3(8Z,11Z,14Z)) C42H76NO10P AURXVWGKRCWXBT-BDVHGAHCSA-N +HMDB0012361 783.505034105 PS(16:0/20:4(5Z,8Z,11Z,14Z)) C42H74NO10P DKLQKRSJZISZKW-KNFJROLASA-N +HMDB0012366 731.473734456 PS(16:1(9Z)/16:1(9Z)) C38H70NO10P SYAYTZJXUCQTMJ-XOZMKWGESA-N +HMDB0012369 757.489384041 PS(16:1(9Z)/18:2(9Z,12Z)) C40H72NO10P DWNFLQISNVMTDP-FIAXNTQPSA-N +HMDB0012371 783.505034105 PS(16:1(9Z)/20:3(8Z,11Z,14Z)) C42H74NO10P KDQCUZMSFTUKER-DTHZZQGCSA-N +HMDB0012381 785.520684169 PS(18:0/18:3(9Z,12Z,15Z)) C42H76NO10P FJJVJFAWOZTCBP-XCOFVSEPSA-N +HMDB0012383 811.536334233 PS(18:0/20:4(5Z,8Z,11Z,14Z)) C44H78NO10P SVOUGFFDROZBJI-DNALCEECSA-N +HMDB0012386 731.473733977 PS(18:1(9Z)/14:1(9Z)) C38H70NO10P GKXJCTQSLVKTAV-NTEBNZJHSA-N +HMDB0012391 785.520684169 PS(18:1(9Z)/18:2(9Z,12Z)) C42H76NO10P MWONMGIZXLAUBR-QUBHBNJHSA-N +HMDB0012392 783.505034105 PS(18:1(9Z)/18:3(9Z,12Z,15Z)) C42H74NO10P MUEUZLYKGCAEFG-ZENWUCLUSA-N +HMDB0012396 731.473733977 PS(18:2(9Z,12Z)/14:0) C38H70NO10P LZBAIACFBSMXFQ-OPLANILISA-N +HMDB0012399 757.489384041 PS(18:2(9Z,12Z)/16:1(9Z)) C40H72NO10P QFGBUBRLCJWGHL-FIAXNTQPSA-N +HMDB0012401 785.520684169 PS(18:2(9Z,12Z)/18:1(9Z)) C42H76NO10P HCMPQQOKSNDTHI-UTJDFHGQSA-N +HMDB0012402 783.505034105 PS(18:2(9Z,12Z)/18:2(9Z,12Z)) C42H74NO10P ZTNFQEXYTMNFHG-SOFXVBFTSA-N +HMDB0012409 757.489384041 PS(18:3(9Z,12Z,15Z)/16:0) C40H72NO10P MGXXGWZPTJJSOQ-HPYWTVDESA-N +HMDB0012411 785.520684169 PS(18:3(9Z,12Z,15Z)/18:0) C42H76NO10P DBFYXFUOCIHCAH-YHTHSIKYSA-N +HMDB0012412 783.505034105 PS(18:3(9Z,12Z,15Z)/18:1(9Z)) C42H74NO10P FCMMQVCGAUYOQK-SRXFDEGJSA-N +HMDB0012418 757.489384041 PS(20:3(8Z,11Z,14Z)/14:0) C40H72NO10P RGLIERIRKNERBJ-HNOMVOJUSA-N +HMDB0012420 785.520684169 PS(20:3(8Z,11Z,14Z)/16:0) C42H76NO10P KEDXPDZZNJECIF-BDVHGAHCSA-N +HMDB0012421 783.505034105 PS(20:3(8Z,11Z,14Z)/16:1(9Z)) C42H74NO10P JOPLYMFHYSLQEE-DTHZZQGCSA-N +HMDB0012431 783.505034105 PS(20:4(5Z,8Z,11Z,14Z)/16:0) C42H74NO10P YGVOIKRHQZUTHL-UTORSVHMSA-N +HMDB0012504 338.245709576 "10,11-dihydro-leukotriene B4" C20H34O4 NKUPFHTVILUPKF-RNEQFKNCSA-N +HMDB0012798 320.198759384 5'-Carboxy-alpha-chromanol C19H28O4 QWPNLVBAEZJBMI-IMFVZPHKSA-N +HMDB0012819 224.079706882 5-Hydroxykynurenine C10H12N2O4 OTDQYOVYQQZAJL-UHFFFAOYSA-N +HMDB0012897 168.068748266 Beta-Carboline C11H8N2 AIFRHYZBTHREPW-UHFFFAOYSA-N +HMDB0012971 102.10446507 1-Hexanol C6H14O ZSIAUFGUXNUGDI-UHFFFAOYSA-N +HMDB0013034 313.261693991 Palmitoylglycine C18H35NO3 KVTFEOAKFFQCCX-UHFFFAOYSA-N +HMDB0013036 88.088815006 1-Pentanol C5H12O AMQJEAYHLZJPGS-UHFFFAOYSA-N +HMDB0013078 327.313729561 Stearoylethanolamide C20H41NO2 OTGQIQQTPXJQRG-UHFFFAOYSA-N +HMDB0013124 215.115758037 Propenoylcarnitine C10H17NO4 YUCNWOKTRWJLGY-QMMMGPOBSA-N +HMDB0013125 233.126322723 Hydroxypropionylcarnitine C10H19NO5 QJGJXKFJFRSERW-QMMMGPOBSA-N +HMDB0013126 229.131408101 Butenylcarnitine C11H19NO4 HQDBMDGXEZLSNK-CYNONHLPSA-N +HMDB0013127 247.141972787 Hydroxybutyrylcarnitine C11H21NO5 UEFRDQSMQXDWTO-GKAPJAKFSA-N +HMDB0013128 246.169984677 Valerylcarnitine C12H24NO4 VSNFQQXVMPSASB-SNVBAGLBSA-O +HMDB0013129 273.121237345 Glutaconylcarnitine C12H19NO6 JXVUHLILXGZLFR-DNQSNQRASA-N +HMDB0013130 275.1368874 Glutarylcarnitine C12H21NO6 NXJAXUYOQLTISD-SECBINFHSA-N +HMDB0013132 263.173272915 Hydroxyvalerylcarnitine C12H25NO5 PSRQDLCMEPQOQH-YZRBJQDESA-N +HMDB0013161 257.162708229 2-Hexenoylcarnitine C13H23NO4 JUAQYRSUSCWTQK-BQYQJAHWSA-N +HMDB0013198 184.037173366 "4-O-Methylgallic acid" C8H8O5 UBXDWYFLYYJQFR-UHFFFAOYSA-N +HMDB0013205 313.225308485 9-Decenoylcarnitine C17H31NO4 GOOOCIIXFLVRAG-UHFFFAOYSA-N +HMDB0013207 397.319208869 9-Hexadecenoylcarnitine C23H43NO4 ZVOMLLYYTWFWOA-XPTLAUCJSA-N +HMDB0013209 275.126991425 Alanyltryptophan C14H17N3O3 CBUUWFVFZSZOAK-UFBFGSQYSA-N +HMDB0013231 45.057849229 Ethylamine C2H7N QUSNBJAOOMFDIB-UHFFFAOYSA-N +HMDB0013240 303.121906047 "Indoleacetyl glutamine" C15H17N3O4 DVJIJAYHBZALOJ-UHFFFAOYSA-N +HMDB0013243 278.16304258 Leucyl-phenylalanine C15H22N2O3 KFKWRHQBZQICHA-UHFFFAOYSA-N +HMDB0013253 153.090211989 "N-Acetylhistamine " C7H11N3O XJWPISBUKWZALE-UHFFFAOYSA-N +HMDB0013288 301.225308485 Nonanoylcarnitine C16H31NO4 MPSPNFAQQQMFLK-UHFFFAOYSA-N +HMDB0013299 228.245315646 Pentadecanol C15H32O REIUXOLGHVXAEO-UHFFFAOYSA-N +HMDB0013302 312.147392516 Phenylalanylphenylalanine C18H20N2O3 GKZIWHRNKRBEOH-UHFFFAOYSA-N +HMDB0013316 200.214015518 Tridecanol C13H28O XFRVVPUIAFSTFO-UHFFFAOYSA-N +HMDB0013326 341.256608613 trans-2-Dodecenoylcarnitine C19H35NO4 JEOZLTJHDSKQIT-KRWDZBQOSA-N +HMDB0013327 373.246437857 Dodecanedioylcarnitine C19H35NO6 VJPIDPQNAYWULC-INIZCTEOSA-N +HMDB0013328 303.168187537 Pimelylcarnitine C14H25NO6 AUWRHMAICBSXMC-NSHDSACASA-N +HMDB0013329 369.287908741 trans-2-Tetradecenoylcarnitine C21H39NO4 VDPVQRIJJXMKLV-VVLLFNJHSA-N +HMDB0013330 385.282823363 3-Hydroxy-cis-5-tetradecenoylcarnitine C21H39NO5 BCZXLGKYFZTAJX-JDWANTKOSA-N +HMDB0013333 413.314123491 3-Hydroxy-9-hexadecenoylcarnitine C23H43NO5 WAGYLURELCUJPG-RPZXQYRRSA-N +HMDB0013334 395.303558805 9,12-Hexadecadienoylcarnitine C23H41NO4 AHZCIODFJPNPKS-XBDLETADSA-N +HMDB0013336 415.329773555 3-Hydroxyhexadecanoylcarnitine C23H45NO5 MHJOYNGEDDXLLU-LBAQZLPGSA-N +HMDB0013337 415.329773555 2-Hydroxyhexadecanoylcarnitine C23H45NO5 ALAYOLIEZSXQPY-LBAQZLPGSA-N +HMDB0013339 441.345423619 3-Hydroxy-11Z-octadecenoylcarnitine C25H47NO5 DGNPJQDFCXFOEZ-OEPBMOORSA-N +HMDB0013340 441.345423619 3-Hydroxy-9Z-octadecenoylcarnitine C25H47NO5 ARMIMRSBKXMKOF-QXZRMERTSA-N +HMDB0013341 691.551590367 PC(o-14:0/16:0) C38H78NO7P BYMZZQJJOHDZOU-DIPNUNPCSA-N +HMDB0013402 689.535940303 PC(o-14:0/16:1(9Z)) C38H76NO7P ZCNUNZUDXNSNRZ-WTWBAFHPSA-N +HMDB0013403 689.535940303 PC(o-16:0/14:1(9Z)) C38H76NO7P YMBXMIQDISYIFB-IEHWZJNJSA-N +HMDB0013404 717.567240431 PC(o-16:0/16:1(9Z)) C40H80NO7P HJVQHTGUAIETCQ-VEAYGOGPSA-N +HMDB0013405 747.614190623 PC(o-16:0/18:0) C42H86NO7P PXPSGTINXJQLBR-VQJSHJPSSA-N +HMDB0013406 775.645490751 PC(o-16:0/20:0) C44H90NO7P QFZSBLJYDQLBAG-VZUYHUTRSA-N +HMDB0013407 767.582890495 PC(o-16:0/20:4(8Z,11Z,14Z,17Z)) C44H82NO7P SOUZQPFUXRVDGK-KCTKZSJBSA-N +HMDB0013408 803.676790879 PC(o-16:0/22:0) C46H94NO7P BIIIEBBIUJYGBZ-WBVITSLISA-N +HMDB0013409 791.582890495 PC(o-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H82NO7P QQQQNYAHSSIZBU-HIQXTUQZSA-N +HMDB0013410 687.520290239 PC(o-16:1(9Z)/14:1(9Z)) C38H74NO7P SPPSEAUTRSATJZ-LSVLUJLYSA-N +HMDB0013411 715.551590367 PC(o-16:1(9Z)/16:1(9Z)) C40H78NO7P MZDGVRYVGYDNAO-KETLZHFASA-N +HMDB0013412 745.598540559 PC(o-16:1(9Z)/18:0) C42H84NO7P SVSLBZPEDBYFGG-HVLKLTLRSA-N +HMDB0013413 741.567240431 PC(o-16:1(9Z)/18:2(9Z,12Z)) C42H80NO7P AXCLECQLCBWNLZ-KZZBVOOISA-N +HMDB0013414 773.629840687 PC(o-16:1(9Z)/20:0) C44H88NO7P NEMVGIRAGVGOLH-RPBJOJELSA-N +HMDB0013415 765.567240431 PC(o-16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C44H80NO7P HOTMLHWJOWGLLX-UZKIFIPLSA-N +HMDB0013416 801.661140815 PC(o-16:1(9Z)/22:0) C46H92NO7P BEBNKXDYOOYGGD-XMGJQEBSSA-N +HMDB0013417 775.645490751 PC(o-18:0/18:0) C44H90NO7P BKEDGKIMIUGHDV-VZUYHUTRSA-N +HMDB0013418 771.614190623 PC(o-18:0/18:2(9Z,12Z)) C44H86NO7P LMGTVCKIUNTOEP-HJTCUGKVSA-N +HMDB0013419 803.676790879 PC(o-18:0/20:0) C46H94NO7P BVCZSMAYNCVQDT-WBVITSLISA-N +HMDB0013420 795.614190623 PC(o-18:0/20:4(8Z,11Z,14Z,17Z)) C46H86NO7P GBNPCIWXLWZJGA-IGBSIYCFSA-N +HMDB0013421 831.708091007 PC(o-18:0/22:0) C48H98NO7P UWZMUJQZEJOLID-QZNUWAOFSA-N +HMDB0013422 819.614190623 PC(o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H86NO7P QBZALASVZLFAHF-KYPHJRDXSA-N +HMDB0013423 859.739391135 PC(o-18:0/24:0) C50H102NO7P ZJMRQFZKFMJBAX-ANFMRNGASA-N +HMDB0013424 745.598540559 PC(o-18:1(11Z)/16:0) C42H84NO7P QCGUXAIDEOWPBV-SNKLRXETSA-N +HMDB0013425 769.598540559 PC(o-18:1(11Z)/18:2(9Z,12Z)) C44H84NO7P KBRIWDRDGVERBB-VXKJXORPSA-N +HMDB0013426 745.598540559 PC(o-18:1(9Z)/16:0) C42H84NO7P IQLHTKSHLGLPMG-HFWGUVFESA-N +HMDB0013427 773.629840687 PC(o-18:1(9Z)/18:0) C44H88NO7P KKPRQPUSFKIYMO-GRVDSVFJSA-N +HMDB0013428 771.614190623 PC(o-18:1(9Z)/18:1(11Z)) C44H86NO7P GSROTDACALJGFK-YIFANWOHSA-N +HMDB0013429 769.598540559 PC(o-18:1(9Z)/18:2(9Z,12Z)) C44H84NO7P MFZLAZYUXHHSIA-HVODBARTSA-N +HMDB0013430 801.661140815 PC(o-18:1(9Z)/20:0) C46H92NO7P XKGBWHAITCMFLI-MWGCQCNTSA-N +HMDB0013431 799.645490751 PC(o-18:1(9Z)/20:1(11Z)) C46H90NO7P OALUPVKKQYLXOY-OGPXCXTMSA-N +HMDB0013432 793.598540559 PC(o-18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C46H84NO7P VJNPDLZENXBRLB-MQEDXBOASA-N +HMDB0013433 829.692440943 PC(o-18:1(9Z)/22:0) C48H96NO7P VTSFZGCXFALJSV-FYAZAUILSA-N +HMDB0013434 857.723741071 PC(o-18:1(9Z)/24:0) C50H100NO7P BSQIZOZBOXYNEW-WIEGMJJDSA-N +HMDB0013435 767.582890495 PC(o-18:2(9Z,12Z)/18:2(9Z,12Z)) C44H82NO7P XCCONPVPHCCYNF-KPFPPAHTSA-N +HMDB0013436 799.645490751 PC(o-18:2(9Z,12Z)/20:0) C46H90NO7P MOCFTDNEKLRJLC-HRGHQQQCSA-N +HMDB0013437 827.676790879 PC(o-18:2(9Z,12Z)/22:0) C48H94NO7P DMPIMBNFIDOLGO-DTRJYZOJSA-N +HMDB0013438 855.708091007 PC(o-18:2(9Z,12Z)/24:0) C50H98NO7P SJLRNWKFILQPDM-AARZFCJCSA-N +HMDB0013439 797.629840687 PC(o-20:0/18:3(6Z,9Z,12Z)) C46H88NO7P XHKFHCCQLHPBPZ-WKDUQDSSSA-N +HMDB0013440 797.629840687 PC(o-20:0/18:3(9Z,12Z,15Z)) C46H88NO7P APWUUZRAVVATRC-GBRUYZQDSA-N +HMDB0013441 831.708091007 PC(o-20:0/20:0) C48H98NO7P OZQMKPUQMDJPII-QZNUWAOFSA-N +HMDB0013442 823.645490751 PC(o-20:0/20:4(8Z,11Z,14Z,17Z)) C48H90NO7P RDNHPNJCALITSY-MBZSPAKGSA-N +HMDB0013443 859.739391135 PC(o-20:0/22:0) C50H102NO7P BJUWREINODTBMO-ANFMRNGASA-N +HMDB0013444 821.629840687 PC(o-20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C48H88NO7P UNAQSIZPRIMCTB-QXUJVPJQSA-N +HMDB0013445 825.661140815 PC(o-22:0/18:3(6Z,9Z,12Z)) C48H92NO7P WEFAHDSLMVUAHQ-GEVWEYGMSA-N +HMDB0013446 825.661140815 PC(o-22:0/18:3(9Z,12Z,15Z)) C48H92NO7P CPEAXNSICHTTDR-BKMBJBKQSA-N +HMDB0013447 857.723741071 PC(o-22:0/20:1(11Z)) C50H100NO7P XKPLZICHJPNOFR-WIEGMJJDSA-N +HMDB0013449 881.723741071 PC(o-22:0/22:3(10Z,13Z,16Z)) C52H100NO7P CQBVYLALIKLMGX-TYGMOWAISA-N +HMDB0013450 875.676790879 PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C52H94NO7P YLLDQHGIGWZVQP-ITBHSSNISA-N +HMDB0013451 849.661140815 PC(o-22:1(13Z)/20:4(8Z,11Z,14Z,17Z)) C50H92NO7P OQRGDDBNUMCNLP-ABEXPZPBSA-N +HMDB0013452 881.723741071 PC(o-22:1(13Z)/22:2(13Z,16Z)) C52H100NO7P VCODWVLGDPOACA-DRGSQYEJSA-N +HMDB0013453 879.708091007 PC(o-22:1(13Z)/22:3(10Z,13Z,16Z)) C52H98NO7P ADCPDRAGQLKVRI-DFPONBFASA-N +HMDB0013455 879.708091007 PC(o-22:2(13Z,16Z)/22:2(13Z,16Z)) C52H98NO7P GCAMFMBVIXVYSA-VIVKCUGUSA-N +HMDB0013456 877.692440943 PC(o-22:2(13Z,16Z)/22:3(10Z,13Z,16Z)) C52H96NO7P CEZAZXUWDFPTTE-FHIJIHMSSA-N +HMDB0013457 875.676790879 PC(o-22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z)) C52H94NO7P QZMFOSCFDWPISC-KQHSIIGPSA-N +HMDB0013458 853.692440943 PC(o-24:0/18:3(6Z,9Z,12Z)) C50H96NO7P LDFITNYTODJQBW-AQBSXLNYSA-N +HMDB0013459 853.692440943 PC(o-24:0/18:3(9Z,12Z,15Z)) C50H96NO7P NIIFWBWRLRQUHB-LSTCNRAPSA-N +HMDB0013460 879.708091007 PC(o-24:0/20:4(8Z,11Z,14Z,17Z)) C52H98NO7P AQJDGYZOTXPNFY-ZFRXABNDSA-N +HMDB0013461 840.708425358 SM(d18:1/26:1(17Z)) C49H97N2O6P YXEXWUZHFGYOHJ-UOJCCMJYSA-N +HMDB0013463 716.54683934 SM(d18:0/16:1(9Z)(OH)) C39H77N2O7P LPHMSPONPQCKTL-FKUNDBCPSA-N +HMDB0013464 702.567574782 SM(d18:0/16:1(9Z)) C39H79N2O6P CGVOQSQIYSUXAT-PPLFXBRHSA-N +HMDB0013465 754.59887491 SM(d18:0/20:2(11Z,14Z)) C43H83N2O6P YVTVVJRJLRHYSJ-XJRFMCMQSA-N +HMDB0013467 798.62508966 SM(d18:0/22:2(13Z,16Z)(OH)) C45H87N2O7P DRKCMBAZIYFIGX-ZWLRGCNFSA-N +HMDB0013468 780.614524974 SM(d18:0/22:3(10Z,13Z,16Z)) C45H85N2O6P YTQGMICAWXIKQI-OIMFMVRSSA-N +HMDB0013497 848.460465478 PGP(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C42H74O13P2 NTQLGVPKRSFHIQ-JHDARNQCSA-N +HMDB0013553 848.460465478 PGP(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) C42H74O13P2 UZDPEBGNSKBQGX-MIIJJXBYSA-N +HMDB0013554 848.460465478 PGP(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) C42H74O13P2 OKSGKZRUQJEAKX-LUEXABFISA-N +HMDB0013567 848.460465478 PGP(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) C42H74O13P2 OYWQLEFQIHHFDV-YTOJJJGQSA-N +HMDB0013582 848.460465478 PGP(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) C42H74O13P2 YGJPTGGFWWXCQF-MLMWWJLQSA-N +HMDB0013609 204.089877638 D-Tryptophan C11H12N2O2 QIVBCDIJIAJPQS-SECBINFHSA-N +HMDB0013622 296.271530396 "10Z-Nonadecenoic acid" C19H36O2 BBOWBNGUEWHNQZ-KTKRTIGZSA-N +HMDB0013627 372.266445018 "Cervonoyl ethanolamide" C24H36O3 CXWASNUDKUTFPQ-KUBAVDMBSA-N +HMDB0013631 339.277344055 "Oleoyl glycine" C20H37NO3 HPFXACZRFJDURI-KTKRTIGZSA-N +HMDB0013639 237.085720237 "8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid" C9H19NO2S2 YNZQCBXDUUGFIX-UHFFFAOYSA-N +HMDB0013674 126.031694058 1,2,3-Trihydroxybenzene C6H6O3 WQGWDDDVZFFDIG-UHFFFAOYSA-N +HMDB0013675 126.031694058 1,3,5-Trihydroxybenzene C6H6O3 QCDYQQDYXPDABM-UHFFFAOYSA-N +HMDB0013677 154.026608673 "3,5-Dihydroxybenzoic acid" C7H6O4 UYEMGAFJOZZIFP-UHFFFAOYSA-N +HMDB0013678 195.053157781 "4-Hydroxyhippuric acid" C9H9NO4 ZMHLUFWWWPBTIU-UHFFFAOYSA-N +HMDB0013695 228.042258744 "Urolithin A" C13H8O4 RIUPLDUFZCXCHM-UHFFFAOYSA-N +HMDB0013713 246.100442324 N-acetyltryptophan C13H14N2O3 DZTHIGRZJZPRDV-LBPRGKRZSA-N +HMDB0013716 117.078978601 Norvaline C5H11NO2 SNDPXSYFESPGGJ-SCSAIBSYSA-N +HMDB0013749 82.041864814 2-Methylfuran C5H6O VQKFNUFAXTZWDK-UHFFFAOYSA-N +HMDB0013780 125.963162262 "Dimethyl trisulfide" C2H6S3 YWHLKYXPLRWGSE-UHFFFAOYSA-N +HMDB0013785 68.02621475 Furan C4H4O YLQBMQCUIZJEEH-UHFFFAOYSA-N +HMDB0013809 126.10446507 (E)-2-octenal C8H14O LVBXEMGDVWVTGY-UHFFFAOYSA-N +HMDB0013811 146.118103761 1-Nitroheptane C7H16NO2 FVLWFQZJXWIROM-UHFFFAOYSA-N +HMDB0013816 204.151415262 2,4-Di-tert-butylphenol C14H20O DFAHCHKNTOVDQQ-UHFFFAOYSA-N +HMDB0013824 138.10446507 2-Pentylfuran C9H14O YVBAUDVGOFCUSG-UHFFFAOYSA-N +HMDB0013825 206.167065326 4-(1,1,3,3-Tetramethylbutyl)-phenol C14H22O ISAVYTVYFVQUDY-UHFFFAOYSA-N +HMDB0014389 153.042593095 Mesalazine C7H7NO3 KBOPZPXVLCULAV-UHFFFAOYSA-N +HMDB0014417 111.079647303 Betazole C5H9N3 JXDFEQONERDKSS-UHFFFAOYSA-N +HMDB0014426 234.173213336 Lidocaine C14H22N2O NNJVILVZKWQKPM-UHFFFAOYSA-N +HMDB0014487 414.16132802 Diltiazem C22H26N2O4S HSUGRBWQSSZJOP-RTWAWAEBSA-N +HMDB0014839 505.224656557 Amprenavir C25H35N3O6S YMARZQAQMVYCKC-OEMFJLHTSA-N +HMDB0015044 324.183778022 Quinidine C20H24N2O2 LOUPRKONTZGTKE-LHHVKLHASA-N +HMDB0015166 285.103478791 Probenecid C13H19NO4S DBABZHXKTCFAPX-UHFFFAOYSA-N +HMDB0028680 160.08479226 Alanyl-Alanine C6H12N2O3 DEFJQIDDEAULHB-UHFFFAOYSA-N +HMDB0028686 218.090271559 "Alanyl-Glutamic acid" C8H14N2O5 VYZAGTDAHUIRQA-UHFFFAOYSA-N +HMDB0028689 226.106590334 Alanyl-Histidine C9H14N4O3 XZWXFWBHYRFLEF-UHFFFAOYSA-N +HMDB0028690 202.131742452 Alanyl-Isoleucine C9H18N2O3 ZSOICJZJSRWNHX-UHFFFAOYSA-N +HMDB0028691 202.131742452 Alanyl-Leucine C9H18N2O3 RDIKFPRVLJLMER-UHFFFAOYSA-N +HMDB0028694 236.116092388 Alanyl-Phenylalanine C12H16N2O3 OMNVYXHOSHNURL-UHFFFAOYSA-N +HMDB0028695 186.100442324 Alanyl-Proline C8H14N2O3 WPWUFUBLGADILS-UHFFFAOYSA-N +HMDB0028697 190.095356946 Alanyl-Threonine C7H14N2O4 BUQICHWNXBIBOG-UHFFFAOYSA-N +HMDB0028699 252.11100701 Alanyl-Tyrosine C12H16N2O4 ALZVPLKYDKJKQU-UHFFFAOYSA-N +HMDB0028700 188.116092383 Alanyl-Valine C8H16N2O3 LIWMQSWFLXEGMA-WDSKDSINSA-N +HMDB0028712 287.195739691 Arginyl-Isoleucine C12H25N5O3 QYLJIYOGHRGUIH-UHFFFAOYSA-N +HMDB0028713 287.195739691 Arginyl-Leucine C12H25N5O3 WYBVBIHNJWOLCJ-UHFFFAOYSA-N +HMDB0028715 305.152160317 Arginyl-Methionine C11H23N5O3S ROWCTNFEMKOIFQ-UHFFFAOYSA-N +HMDB0028716 321.180089627 Arginyl-Phenylalanine C15H23N5O3 PQBHGSGQZSOLIR-UHFFFAOYSA-N +HMDB0028717 271.164439563 Arginyl-Proline C11H21N5O3 LQJAALCCPOTJGB-UHFFFAOYSA-N +HMDB0028721 337.175004249 Arginyl-Tyrosine C15H23N5O4 XTWSWDJMIKUJDQ-UHFFFAOYSA-N +HMDB0028722 273.180089627 Arginyl-Valine C11H23N5O3 DAQIJMOLTMGJLO-UHFFFAOYSA-N +HMDB0028732 245.101170605 Asparaginyl-Hydroxyproline C9H15N3O5 LMVFAFXAMGAFOO-UHFFFAOYSA-N +HMDB0028734 245.137556111 Asparaginyl-Isoleucine C10H19N3O4 MQLZLIYPFDIDMZ-UHFFFAOYSA-N +HMDB0028735 245.137556111 Asparaginyl-Leucine C10H19N3O4 HXWUJJADFMXNKA-UHFFFAOYSA-N +HMDB0028744 231.121906047 Asparaginyl-Valine C9H17N3O4 KWBQPGIYEZKDEG-UHFFFAOYSA-N +HMDB0028757 246.121571696 Aspartyl-Leucine C10H18N2O5 ZVDPYSVOZFINEE-UHFFFAOYSA-N +HMDB0028764 319.116820669 Aspartyl-Tryptophan C15H17N3O5 ZARXTZFGQZBYFO-UHFFFAOYSA-N +HMDB0028795 274.127719696 Glutaminylglutamine C10H18N4O5 LOJYQMFIIJVETK-WDSKDSINSA-N +HMDB0028800 259.153206168 Glutaminylisoleucine C11H21N3O4 XITLYYAIPBBHPX-ZKWXMUAHSA-N +HMDB0028801 259.153206168 Glutaminylleucine C11H21N3O4 ARPVSMCNIDAQBO-YUMQZZPRSA-N +HMDB0028805 243.121906039 Glutaminylproline C10H17N3O4 NJMYZEJORPYOTO-BQBZGAKWSA-N +HMDB0028822 260.137221752 Glutamylisoleucine C11H20N2O5 SNFUTDLOCQQRQD-ZKWXMUAHSA-N +HMDB0028823 260.137221752 Glutamylleucine C11H20N2O5 YBAFDPFAUTYYRW-YUMQZZPRSA-N +HMDB0028830 333.132470724 Glutamyltryptophan C16H19N3O5 LLEUXCDZPQOJMY-AAEUAGOBSA-N +HMDB0028831 310.116486308 Glutamyltyrosine C14H18N2O6 YSWHPLCDIMUKFE-QWRGUYRKSA-N +HMDB0028832 246.121571696 Glutamylvaline C10H18N2O5 SITLTJHOQZFJGG-XPUUQOCRSA-N +HMDB0028844 188.116092388 Glycyl-Isoleucine C8H16N2O3 KGVHCTWYMPWEGN-UHFFFAOYSA-N +HMDB0028847 206.072513014 Glycyl-Methionine C7H14N2O3S PFMUCCYYAAFKTH-UHFFFAOYSA-N +HMDB0028848 222.100442324 Glycyl-Phenylalanine C11H14N2O3 JBCLFWXMTIKCCB-UHFFFAOYSA-N +HMDB0028851 176.079706882 Glycyl-Threonine C6H12N2O4 OLIFSFOFKGKIRH-UHFFFAOYSA-N +HMDB0028852 261.111341361 Glycyl-Tryptophan C13H15N3O3 AJHCSUXXECOXOY-UHFFFAOYSA-N +HMDB0028853 238.095356939 Glycyltyrosine C11H14N2O4 XBGGUPMXALFZOT-VIFPVBQESA-N +HMDB0028854 174.100442324 Glycyl-Valine C7H14N2O3 STKYPAFSDFAEPH-UHFFFAOYSA-N +HMDB0028878 226.106590334 Histidinyl-Alanine C9H14N4O3 FRJIAZKQGSCKPQ-UHFFFAOYSA-N +HMDB0028885 212.09094027 Histidinyl-Glycine C8H12N4O3 LYCVKHSJGDMDLM-UHFFFAOYSA-N +HMDB0028888 268.153540526 Histidinyl-Isoleucine C12H20N4O3 IDXZDKMBEXLFMB-UHFFFAOYSA-N +HMDB0028889 268.153540526 Histidinyl-Leucine C12H20N4O3 MMFKFJORZBJVNF-UHFFFAOYSA-N +HMDB0028892 302.137890462 Histidinyl-Phenylalanine C15H18N4O3 XMAUFHMAAVTODF-UHFFFAOYSA-N +HMDB0028893 252.122240398 Histidinyl-Proline C11H16N4O3 LNCFUHAPNTYMJB-UHFFFAOYSA-N +HMDB0028896 341.148789499 Histidinyl-Tryptophan C17H19N5O3 FBTYOQIYBULKEH-UHFFFAOYSA-N +HMDB0028898 254.137890462 Histidinyl-Valine C11H18N4O3 VLDVBZICYBVQHB-UHFFFAOYSA-N +HMDB0028900 202.131742452 Isoleucyl-Alanine C9H18N2O3 RCFDOSNHHZGBOY-UHFFFAOYSA-N +HMDB0028901 287.195739691 Isoleucyl-Arginine C12H25N5O3 HYXQKVOADYPQEA-UHFFFAOYSA-N +HMDB0028902 245.137556111 Isoleucyl-Asparagine C10H19N3O4 HZYHBDVRCBDJJV-UHFFFAOYSA-N +HMDB0028903 246.121571696 Isoleucyl-Aspartate C10H18N2O5 WKXVAXOSIPTXEC-UHFFFAOYSA-N +HMDB0028906 260.137221752 Isoleucyl-Glutamate C11H20N2O5 KTGFOCFYOZQVRJ-UHFFFAOYSA-N +HMDB0028907 188.116092388 Isoleucyl-Glycine C8H16N2O3 UCGDDTHMMVWVMV-UHFFFAOYSA-N +HMDB0028910 244.178692644 Isoleucyl-Isoleucine C12H24N2O3 BCVIOZZGJNOEQS-UHFFFAOYSA-N +HMDB0028911 244.178692644 Isoleucyl-Leucine C12H24N2O3 JWBXCSQZLLIOCI-UHFFFAOYSA-N +HMDB0028913 262.13511327 Isoleucyl-Methionine C11H22N2O3S TUYOFUHICRWDGA-UHFFFAOYSA-N +HMDB0028914 278.16304258 Isoleucyl-Phenylalanine C15H22N2O3 WMDZARSFSMZOQO-UHFFFAOYSA-N +HMDB0028916 218.126657074 Isoleucyl-Serine C9H18N2O4 TWVKGYNQQAUNRN-UHFFFAOYSA-N +HMDB0028917 232.142307138 Isoleucyl-Threonine C10H20N2O4 DRCKHKZYDLJYFQ-UHFFFAOYSA-N +HMDB0028918 317.173941617 Isoleucyl-Tryptophan C17H23N3O3 BVRPESWOSNFUCJ-UHFFFAOYSA-N +HMDB0028919 294.157957202 Isoleucyl-Tyrosine C15H22N2O4 MUFXDFWAJSPHIQ-UHFFFAOYSA-N +HMDB0028920 230.16304258 Isoleucyl-Valine C11H22N2O3 BCXBIONYYJCSDF-UHFFFAOYSA-N +HMDB0028922 202.131742452 Leucyl-Alanine C9H18N2O3 HSQGMTRYSIHDAC-UHFFFAOYSA-N +HMDB0028923 287.195739691 Leucyl-Arginine C12H25N5O3 SENJXOPIZNYLHU-UHFFFAOYSA-N +HMDB0028924 245.137556111 Leucyl-Asparagine C10H19N3O4 MLTRLIITQPXHBJ-UHFFFAOYSA-N +HMDB0028927 259.153206175 Leucyl-Glutamine C11H21N3O4 JYOAXOMPIXKMKK-UHFFFAOYSA-N +HMDB0028928 260.137221752 Leucyl-Glutamate C11H20N2O5 NFNVDJGXRFEYTK-UHFFFAOYSA-N +HMDB0028929 188.116092388 Leucyl-Glycine C8H16N2O3 LESXFEZIFXFIQR-UHFFFAOYSA-N +HMDB0028932 244.178692644 Leucyl-Isoleucine C12H24N2O3 AZLASBBHHSLQDB-UHFFFAOYSA-N +HMDB0028933 244.178692644 Leucyl-Leucine C12H24N2O3 LCPYQJIKPJDLLB-UHFFFAOYSA-N +HMDB0028935 262.13511327 Leucyl-Methionine C11H22N2O3S NTISAKGPIGTIJJ-UHFFFAOYSA-N +HMDB0028938 218.126657074 Leucyl-Serine C9H18N2O4 XGDCYUQSFDQISZ-UHFFFAOYSA-N +HMDB0028939 232.142307138 Leucyl-Threonine C10H20N2O4 LRKCBIUDWAXNEG-UHFFFAOYSA-N +HMDB0028940 317.173941617 Leucyl-Tryptophan C17H23N3O3 BQVUABVGYYSDCJ-UHFFFAOYSA-N +HMDB0028941 294.157957202 Leucyl-Tyrosine C15H22N2O4 LHSGPCFBGJHPCY-UHFFFAOYSA-N +HMDB0028942 230.16304258 Leucyl-Valine C11H22N2O3 MDSUKZSLOATHMH-UHFFFAOYSA-N +HMDB0028954 259.189591681 Lysyl-Isoleucine C12H25N3O3 FMIIKPHLJKUXGE-UHFFFAOYSA-N +HMDB0028955 259.189591681 Lysyl-Leucine C12H25N3O3 ATIPDCIQTUXABX-UHFFFAOYSA-N +HMDB0028958 293.173941617 Lysyl-Phenylalanine C15H23N3O3 QCZYYEFXOBKCNQ-UHFFFAOYSA-N +HMDB0028959 243.158291553 Lysyl-Proline C11H21N3O3 AIXUQKMMBQJZCU-UHFFFAOYSA-N +HMDB0028963 309.168856239 Lysyl-Tyrosine C15H23N3O4 MYTOTTSMVMWVJN-UHFFFAOYSA-N +HMDB0028964 245.173941617 Lysyl-Valine C11H23N3O3 YQAIUOWPSUOINN-UHFFFAOYSA-N +HMDB0028966 220.088163078 Methionyl-Alanine C8H16N2O3S JHKXZYLNVJRAAJ-UHFFFAOYSA-N +HMDB0028980 296.119463206 Methionyl-Phenylalanine C14H20N2O3S HGCNKOLVKRAVHD-UHFFFAOYSA-N +HMDB0028983 250.098727764 Methionyl-Threonine C9H18N2O4S KAKJTZWHIUWTTD-UHFFFAOYSA-N +HMDB0028986 248.119463206 Methionyl-Valine C10H20N2O3S BJFJQOMZCSHBMY-UHFFFAOYSA-N +HMDB0028988 236.116092388 Phenylalanyl-Alanine C12H16N2O3 MIDZLCFIAINOQN-UHFFFAOYSA-N +HMDB0028991 280.105921632 Phenylalanyl-Aspartate C13H16N2O5 HWMGTNOVUDIKRE-UHFFFAOYSA-N +HMDB0028994 294.121571688 Phenylalanyl-Glutamate C14H18N2O5 JXWLMUIXUXLIJR-UHFFFAOYSA-N +HMDB0028995 222.100442324 Phenylalanyl-Glycine C11H14N2O3 GLUBLISJVJFHQS-UHFFFAOYSA-N +HMDB0028998 278.16304258 Phenylalanyl-Isoleucine C15H22N2O3 JWBLQDDHSDGEGR-UHFFFAOYSA-N +HMDB0029001 296.119463206 Phenylalanyl-Methionine C14H20N2O3S PYOHODCEOHCZBM-UHFFFAOYSA-N +HMDB0029004 252.11100701 Phenylalanyl-Serine C12H16N2O4 ROHDXJUFQVRDAV-UHFFFAOYSA-N +HMDB0029006 351.158291553 Phenylalanyl-Tryptophan C20H21N3O3 JMCOUWKXLXDERB-UHFFFAOYSA-N +HMDB0029007 328.142307138 Phenylalanyl-Tyrosine C18H20N2O4 FSXRLASFHBWESK-UHFFFAOYSA-N +HMDB0029008 264.147392516 Phenylalanyl-Valine C14H20N2O3 IEHDJWSAXBGJIP-UHFFFAOYSA-N +HMDB0029010 186.100442324 Prolyl-Alanine C8H14N2O3 FELJDCNGZFDUNR-UHFFFAOYSA-N +HMDB0029026 202.095356946 Prolyl-Serine C8H14N2O4 AFWBWPCXSWUCLB-UHFFFAOYSA-N +HMDB0029028 301.142641489 Prolyl-Tryptophan C16H19N3O3 UEKYKRQIAQHOOZ-UHFFFAOYSA-N +HMDB0029042 218.126657074 Serylisoleucine C9H18N2O4 BXLYSRPHVMCOPS-UHFFFAOYSA-N +HMDB0029043 218.126657074 Serylleucine C9H18N2O4 NFDYGNFETJVMSE-UHFFFAOYSA-N +HMDB0029046 252.11100701 Serylphenylalanine C12H16N2O4 PPQRSMGDOHLTBE-UHFFFAOYSA-N +HMDB0029047 202.095356946 Serylproline C8H14N2O4 WBAXJMCUFIXCNI-UHFFFAOYSA-N +HMDB0029052 204.11100701 Serylvaline C8H16N2O4 ILVGMCVCQBJPSH-UHFFFAOYSA-N +HMDB0029064 232.142307138 Threoninyl-Isoleucine C10H20N2O4 LUMXICQAOKVQOB-UHFFFAOYSA-N +HMDB0029065 232.142307138 Threoninyl-Leucine C10H20N2O4 BQBCIBCLXBKYHW-UHFFFAOYSA-N +HMDB0029068 266.126657074 Threoninyl-Phenylalanine C13H18N2O4 IQHUITKNHOKGFC-UHFFFAOYSA-N +HMDB0029074 218.126657074 Threoninyl-Valine C9H18N2O4 CKHWEVXPLJBEOZ-UHFFFAOYSA-N +HMDB0029076 275.126991425 Tryptophyl-Alanine C14H17N3O3 OHGNSVACHBZKSS-UHFFFAOYSA-N +HMDB0029082 333.132470724 Tryptophyl-Glutamate C16H19N3O5 PWIQCLSQVQBOQV-UHFFFAOYSA-N +HMDB0029083 261.111341361 Tryptophyl-Glycine C13H15N3O3 UYKREHOKELZSPB-UHFFFAOYSA-N +HMDB0029086 317.173941617 Tryptophyl-Isoleucine C17H23N3O3 PITVQFJBUFDJDD-UHFFFAOYSA-N +HMDB0029087 317.173941617 Tryptophyl-Leucine C17H23N3O3 LYMVXFSTACVOLP-UHFFFAOYSA-N +HMDB0029090 351.158291553 Tryptophyl-Phenylalanine C20H21N3O3 IMMPMHKLUUZKAZ-UHFFFAOYSA-N +HMDB0029091 301.142641489 Tryptophyl-Proline C16H19N3O3 DXYQIGZZWYBXSD-UHFFFAOYSA-N +HMDB0029094 390.16919059 Tryptophyl-Tryptophan C22H22N4O3 NQIHMZLGCZNZBN-UHFFFAOYSA-N +HMDB0029095 367.153206175 Tryptophyl-Tyrosine C20H21N3O4 TYYLDKGBCJGJGW-UHFFFAOYSA-N +HMDB0029096 303.158291553 Tryptophyl-Valine C16H21N3O3 LWFWZRANSFAJDR-UHFFFAOYSA-N +HMDB0029098 252.11100701 Tyrosyl-Alanine C12H16N2O4 NLKUJNGEGZDXGO-UHFFFAOYSA-N +HMDB0029103 309.132470733 Tyrosyl-Glutamine C14H19N3O5 UBAQSAUDKMIEQZ-UHFFFAOYSA-N +HMDB0029104 310.116486308 Tyrosyl-Glutamate C14H18N2O6 PDSLRCZINIDLMU-UHFFFAOYSA-N +HMDB0029106 294.121571696 Tyrosyl-Hydroxyproline C14H18N2O5 FTWOPDCJCRFTHX-UHFFFAOYSA-N +HMDB0029108 294.157957202 Tyrosyl-Isoleucine C15H22N2O4 QJKMCQRFHJRIPU-UHFFFAOYSA-N +HMDB0029109 294.157957202 Tyrosyl-Leucine C15H22N2O4 AUEJLPRZGVVDNU-UHFFFAOYSA-N +HMDB0029112 328.142307138 Tyrosyl-Phenylalanine C18H20N2O4 CGWAPUBOXJWXMS-UHFFFAOYSA-N +HMDB0029117 344.13722176 Tyrosyl-Tyrosine C18H20N2O5 JAQGKXUEKGKTKX-UHFFFAOYSA-N +HMDB0029118 280.142307138 Tyrosyl-Valine C14H20N2O4 OYOQKMOWUDVWCR-UHFFFAOYSA-N +HMDB0029120 188.116092388 Valyl-Alanine C8H16N2O3 HSRXSKHRSXRCFC-UHFFFAOYSA-N +HMDB0029121 273.180089627 Valyl-Arginine C11H23N5O3 IBIDRSSEHFLGSD-UHFFFAOYSA-N +HMDB0029123 232.105921632 Valyl-Aspartate C9H16N2O5 OBTCMSPFOITUIJ-UHFFFAOYSA-N +HMDB0029125 245.137556111 Valyl-Glutamine C10H19N3O4 XXDVDTMEVBYRPK-UHFFFAOYSA-N +HMDB0029126 246.121571688 Valyl-Glutamate C10H18N2O5 UPJONISHZRADBH-UHFFFAOYSA-N +HMDB0029127 174.100442324 Valyl-Glycine C7H14N2O3 IOUPEELXVYPCPG-UHFFFAOYSA-N +HMDB0029129 254.137890462 Valyl-Histidine C11H18N4O3 BNQVUHQWZGTIBX-UHFFFAOYSA-N +HMDB0029130 230.16304258 Valyl-Isoleucine C11H22N2O3 PNVLWFYAPWAQMU-UHFFFAOYSA-N +HMDB0029131 230.16304258 Valyl-Leucine C11H22N2O3 XCTHZFGSVQBHBW-UHFFFAOYSA-N +HMDB0029132 245.173941617 Valyl-Lysine C11H23N3O3 JKHXYJKMNSSFFL-UHFFFAOYSA-N +HMDB0029133 248.119463206 Valyl-Methionine C10H20N2O3S YSGSDAIMSCVPHG-UHFFFAOYSA-N +HMDB0029134 264.147392516 Valyl-Phenylalanine C14H20N2O3 GJNDXQBALKCYSZ-UHFFFAOYSA-N +HMDB0029136 204.11100701 Valyl-Serine C8H16N2O4 STTYIMSDIYISRG-UHFFFAOYSA-N +HMDB0029137 218.126657074 Valyl-Threonine C9H18N2O4 GVRKWABULJAONN-UHFFFAOYSA-N +HMDB0029138 303.158291553 Valyl-Tryptophan C16H21N3O3 LZDNBBYBDGBADK-UHFFFAOYSA-N +HMDB0029139 280.142307138 Valyl-Tyrosine C14H20N2O4 VEYJKJORLPYVLO-UHFFFAOYSA-N +HMDB0029140 216.147392516 Valyl-Valine C10H20N2O3 KRNYOVHEKOBTEF-UHFFFAOYSA-N +HMDB0029147 275.111735279 N-gamma-Glutamylglutamine C10H17N3O6 FCWNOQOVMGNKNG-WDSKDSINSA-N +HMDB0029151 284.112069631 gamma-Glutamylhistidine C11H16N4O5 PXVCMZCJAUJLJP-YUMQZZPRSA-N +HMDB0029160 333.132470724 gamma-Glutamyltryptophan C16H19N3O5 CATMPQFFVNKDEY-AAEUAGOBSA-N +HMDB0029167 160.073558872 "2-Methyladipic acid" C7H12O4 JZUMVFMLJGSMRF-UHFFFAOYSA-N +HMDB0029185 208.073558872 5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone C11H12O4 ZNXXWTPQHVLMQT-UHFFFAOYSA-N +HMDB0029196 164.068473494 D-Fucose C6H12O5 SHZGCJCMOBCMKK-PHYPRBDBSA-N +HMDB0029205 635.488990111 lysoPC(26:0) C34H70NO7P WSDKRPCAPHRNNZ-MGBGTMOVSA-N +HMDB0029206 663.520290239 lysoPC(28:0) C36H74NO7P VPAMUPUPKCTFGJ-PGUFJCEWSA-N +HMDB0029216 715.575399814 "SM C16:1" C40H80N2O6P ZKIVREDSEABFBU-NDBDZNEVSA-O +HMDB0029220 633.473340047 lysoPC(26:1(5Z)) C34H68NO7P HHNUOPXCCKOIPL-VTFFUMFSSA-N +HMDB0029221 661.504640175 lysoPC(28:1(5Z)) C36H72NO7P VCXKVGMRVJRCIV-XRKADIMJSA-N +HMDB0029223 179.094628665 alpha-Methylphenylalanine C10H13NO2 HYOWVAAEQCNGLE-UHFFFAOYSA-N +HMDB0029224 179.094628665 N-methylphenylalanine C10H13NO2 SCIFESDRCALIIM-UHFFFAOYSA-N +HMDB0029377 285.136493479 Piperine C17H19NO3 MXXWOMGUGJBKIW-YPCIICBESA-N +HMDB0029412 159.089543287 Betonicine C7H13NO3 MUNWAHDYFVYIKH-RITPCOANSA-N +HMDB0029415 179.025228471 S-Carboxymethyl-L-cysteine C5H9NO4S GBFLZEXEOZUWRN-UHFFFAOYSA-N +HMDB0029423 161.068807845 Acetylhomoserine C6H11NO4 FCXZBWSIAGGPCB-UHFFFAOYSA-N +HMDB0029595 128.15650064 Nonane C9H20 BKIMMITUMNQMOS-UHFFFAOYSA-N +HMDB0029596 117.914383153 Chloroform CHCl3 HEDRZPFGACZZDS-UHFFFAOYSA-N +HMDB0029597 84.093900384 Cyclohexane C6H12 XDTMQSROBMDMFD-UHFFFAOYSA-N +HMDB0029600 86.109550448 Hexane C6H14 VLKZOEOYAKHREP-UHFFFAOYSA-N +HMDB0029603 72.093900384 Pentane C5H12 OFBQJSOFQDEBGM-UHFFFAOYSA-N +HMDB0029632 268.276615774 "Oleyl alcohol" C18H36O ALSTYHKOOCGGFT-KTKRTIGZSA-N +HMDB0029638 120.057514878 4-Methylbenzaldehyde C8H8O FXLOVSHXALFLKQ-UHFFFAOYSA-N +HMDB0029641 132.093900384 p-Mentha-1,3,5,8-tetraene C10H12 MMSLOZQEMPDGPI-UHFFFAOYSA-N +HMDB0029649 170.021523302 "2,4,6-Trihydroxybenzoic acid" C7H6O5 IBHWREHFNDMRPR-UHFFFAOYSA-N +HMDB0029672 138.068079564 1,3-Dimethoxybenzene C8H10O2 DPZNOMCNRMUKPS-UHFFFAOYSA-N +HMDB0029718 84.003370818 Thiophene C4H4S YTPLMLYBLZKORZ-UHFFFAOYSA-N +HMDB0029723 182.999013721 Saccharin C7H5NO3S CVHZOJJKTDOEJC-UHFFFAOYSA-N +HMDB0029728 110.073164942 2-Ethyl-5-methylfuran C7H10O NBXLPPVOZWYADY-UHFFFAOYSA-N +HMDB0029738 189.078978601 "Indole-3-methyl acetate" C11H11NO2 KTHADMDGDNYQRX-UHFFFAOYSA-N +HMDB0029750 126.031694058 "Methyl 2-furoate" C6H6O3 HDJLSECJEQSPKW-UHFFFAOYSA-N +HMDB0029751 128.062600256 Naphthalene C10H8 UFWIBTONFRDIAS-UHFFFAOYSA-N +HMDB0029762 116.083729628 "Methyl (S)-2-Methylbutanoate" C6H12O2 OCWLYWIFNDCWRZ-UHFFFAOYSA-N +HMDB0029811 284.271530396 "Ethyl hexadecanoate" C18H36O2 XIRNKXNNONJFQO-UHFFFAOYSA-N +HMDB0029817 166.062994186 "Ethyl salicylate" C9H10O3 GYCKQBWUSACYIF-UHFFFAOYSA-N +HMDB0029937 504.169034976 Panose C18H32O16 OWEGMIWEEQEYGQ-UHFFFAOYSA-N +HMDB0029942 150.05282343 D-Arabinose C5H10O5 PYMYPHUHKUWMLA-WDCZJNDASA-N +HMDB0029980 144.115029756 "Hexyl acetate" C8H16O2 AOGQPLXWSUTHQB-UHFFFAOYSA-N +HMDB0030021 412.370516158 Fucosterol C29H48O OSELKOCHBMDKEJ-ZMRGBFEOSA-N +HMDB0030025 90.013935504 1-Mercapto-2-propanone C3H6OS USVCRBGYQRVTNK-UHFFFAOYSA-N +HMDB0030027 116.083729628 "Methyl 3-methylbutanoate" C6H12O2 OQAGVSWESNCJJT-UHFFFAOYSA-N +HMDB0030028 130.099379692 "Ethyl isovalerate" C7H14O2 PPXUHEORWJQRHJ-UHFFFAOYSA-N +HMDB0030052 130.099379692 "Butyl propionate" C7H14O2 BTMVHUNTONAYDX-UHFFFAOYSA-N +HMDB0030056 116.083729628 "Isopropyl propionate" C6H12O2 IJMWOMHMDSDKGK-UHFFFAOYSA-N +HMDB0030058 102.068079564 "Ethyl propionate" C5H10O2 FKRCODPIKNYEAC-UHFFFAOYSA-N +HMDB0030059 116.083729628 "Propyl propionate" C6H12O2 MCSINKKTEDDPNK-UHFFFAOYSA-N +HMDB0030060 164.083729628 "Methyl 3-phenylpropanoate" C10H12O2 RPUSRLKKXPQSGP-UHFFFAOYSA-N +HMDB0030062 88.0524295 "Methyl propionate" C4H8O2 RJUFJBKOKNCXHH-UHFFFAOYSA-N +HMDB0030070 130.135765198 (S)-3-Octanol C8H18O NMRPBPVERJPACX-UHFFFAOYSA-N +HMDB0030124 86.073164942 Prenol C5H10O ASUAYTHWZCLXAN-UHFFFAOYSA-N +HMDB0030126 86.073164942 3-Methyl-3-buten-1-ol C5H10O CPJRRXSHAYUTGL-UHFFFAOYSA-N +HMDB0030180 480.308703762 Crustecdysone C27H44O7 NKDFYOWSKOHCCO-YPVLXUMRSA-N +HMDB0030307 184.219100896 2,6,8-Trimethyldecane C13H28 SWDJLVOSNCGQGB-UHFFFAOYSA-N +HMDB0030331 158.13067982 "xi-2-Ethylheptanoic acid" C9H18O2 DYWSVUBJGFTOQC-UHFFFAOYSA-N +HMDB0030433 273.172878985 "Linalyl anthranilate" C17H23NO2 WHIJSULEEDNKPD-UHFFFAOYSA-N +HMDB0030653 354.095082174 "Cryptochlorogenic acid" C16H18O9 GYFFKZTYYAFCTR-JUHZACGLSA-N +HMDB0030667 300.063388116 Chrysoeriol C16H12O6 SCZVLDHREVKTSH-UHFFFAOYSA-N +HMDB0030776 126.031694058 Maltol C6H6O3 XPCTZQVDEJYUGT-UHFFFAOYSA-N +HMDB0030837 148.088815006 Anethole C10H12O RUVINXPYWBROJD-ARJAWSKDSA-N +HMDB0030928 198.198365454 Tridecanal C13H26O BGEHHAVMRVXCGR-UHFFFAOYSA-N +HMDB0030930 182.203450832 1-Tridecene C13H26 VQOXUMQBYILCKR-UHFFFAOYSA-N +HMDB0030941 170.167065326 Undecanal C11H22O KMPQYAYAQWNLME-UHFFFAOYSA-N +HMDB0030942 172.18271539 2-Undecanol C11H24O XMUJIPOFTAHSOK-UHFFFAOYSA-N +HMDB0030998 200.177630012 "Ethyl decanoate" C12H24O2 RGXWDWUGBIJHDO-UHFFFAOYSA-N +HMDB0031019 184.18271539 2-Dodecanone C12H24O LSKONYYRONEBKA-UHFFFAOYSA-N +HMDB0031057 272.23514489 "2-Hydroxyhexadecanoic acid" C16H32O3 JGHSBPIZNUXPLA-OAHLLOKOSA-N +HMDB0031067 270.255880332 "(S)-14-Methylhexadecanoic acid" C17H34O2 FXUKWLSZZHVEJD-UHFFFAOYSA-N +HMDB0031068 256.240230268 "Isopalmitic acid" C16H32O2 ZONJATNKKGGVSU-UHFFFAOYSA-N +HMDB0031072 228.20893014 "12-Methyltridecanoic acid" C14H28O2 YYVJAABUJYRQJO-UHFFFAOYSA-N +HMDB0031078 226.229665582 Pentadecanal C15H30O XGQJZNCFDLXSIJ-UHFFFAOYSA-N +HMDB0031082 210.23475096 1-Pentadecene C15H30 PJLHTVIBELQURV-UHFFFAOYSA-N +HMDB0031189 90.013935504 "S-Methyl thioacetate" C3H6OS OATSQCXMYKYFQO-UHFFFAOYSA-N +HMDB0031191 118.045235632 "S-Methyl butanethioate" C5H10OS GRLJIIJNZJVMGP-UHFFFAOYSA-N +HMDB0031193 176.032087988 "1,2,3-Propanetricarboxylic acid" C6H8O6 KQTIIICEAUMSDG-UHFFFAOYSA-N +HMDB0031206 86.073164942 Pentanal C5H10O HGBOYTHUEUWSSQ-UHFFFAOYSA-N +HMDB0031207 116.083729628 "Methyl pentanoate" C6H12O2 HNBDRPTVWVGKBR-UHFFFAOYSA-N +HMDB0031209 86.036779436 "Ethenyl acetate" C4H6O2 XTXRWKRVRITETP-UHFFFAOYSA-N +HMDB0031213 90.068079564 2-Ethoxyethanol C4H10O2 ZNQVEEAIQZEUHB-UHFFFAOYSA-N +HMDB0031217 88.0524295 "Ethyl acetate" C4H8O2 XEKOWRVHYACXOJ-UHFFFAOYSA-N +HMDB0031230 144.115029756 "2-Ethylhexanoic acid" C8H16O2 OBETXYAYXDNJHR-UHFFFAOYSA-N +HMDB0031231 130.135765198 xi-2-Ethyl-1-hexanol C8H18O YIWUKEYIRIRTPP-UHFFFAOYSA-N +HMDB0031243 72.057514878 2-Methylpropanal C4H8O AMIMRNSIRUDHCM-UHFFFAOYSA-N +HMDB0031248 116.083729628 "Ethyl 2-methylpropanoate" C6H12O2 WDAXFOBOLVPGLV-UHFFFAOYSA-N +HMDB0031249 102.068079564 "Methyl isobutyrate" C5H10O2 BHIWKHZACMWKOJ-UHFFFAOYSA-N +HMDB0031253 102.013935504 Dihydro-2(3H)-thiophenone C4H6OS KMSNYNIWEORQDJ-UHFFFAOYSA-N +HMDB0031265 144.151415262 1-Nonanol C9H20O ZWRUINPWMLAQRD-UHFFFAOYSA-N +HMDB0031266 142.135765198 2-Nonanone C9H18O VKCYHJWLYTUGCC-UHFFFAOYSA-N +HMDB0031269 140.120115134 2-Nonenal C9H16O BSAIUMLZVGUGKX-FPLPWBNLSA-N +HMDB0031294 128.120115134 2-Octanone C8H16O ZPVFWPFBNIEHGJ-UHFFFAOYSA-N +HMDB0031295 128.120115134 "Ethyl pentyl ketone" C8H16O RHLVCLIPMVJYKS-UHFFFAOYSA-N +HMDB0031299 128.120115134 (R)-1-Octen-3-ol C8H16O VSMOENVRRABVKN-UHFFFAOYSA-N +HMDB0031309 126.10446507 1-Octen-3-one C8H14O KLTVSWGXIAYTHO-UHFFFAOYSA-N +HMDB0031317 108.006741636 Bis(methylthio)methane C3H8S2 LOCDPORVFVOGCR-UHFFFAOYSA-N +HMDB0031321 73.089149357 1-Butylamine C4H11N HQABUPZFAYXKJW-UHFFFAOYSA-N +HMDB0031325 116.083729628 "n-Butyl acetate" C6H12O2 DKPFZGUDAPQIHT-UHFFFAOYSA-N +HMDB0031327 118.099379692 2-Butoxyethanol C6H14O2 POAOYUHQDCAZBD-UHFFFAOYSA-N +HMDB0031342 128.083729628 "Cyclohexanecarboxylic acid" C7H12O2 NZNMSOFKMUBTKW-UHFFFAOYSA-N +HMDB0031343 142.099379692 "Methyl cyclohexanecarboxylate" C8H14O2 ZQWPRMPSCMSAJU-UHFFFAOYSA-N +HMDB0031404 99.104799421 Cyclohexylamine C6H13N PAFZNILMFXTMIY-UHFFFAOYSA-N +HMDB0031409 156.151415262 2-Decanone C10H20O ZAJNGDIORYACQU-UHFFFAOYSA-N +HMDB0031417 142.135765198 2,6-Dimethyl-4-heptanone C9H18O PTTPXKJBFFKCEK-UHFFFAOYSA-N +HMDB0031429 114.10446507 2,4-Dimethyl-3-pentanone C7H14O HXVNBWAKAOHACI-UHFFFAOYSA-N +HMDB0031444 170.203450832 N-Dodecane C12H26 SNRUBQQJIBEYMU-UHFFFAOYSA-N +HMDB0031445 156.187800768 Undecane C11H24 RSJKGSCJYJTIGS-UHFFFAOYSA-N +HMDB0031450 142.172150704 N-Decane C10H22 DIOQZVSQGTUSAI-UHFFFAOYSA-N +HMDB0031472 150.053691828 "Dipropyl disulfide" C6H14S2 ALVPFGSHPUPROW-UHFFFAOYSA-N +HMDB0031475 114.10446507 Heptanal C7H14O FXHGMKSSBGDXIY-UHFFFAOYSA-N +HMDB0031476 128.083729628 2,3-Heptanedione C7H12O2 FJPGAMCQJNLTJC-UHFFFAOYSA-N +HMDB0031478 144.115029756 "Methyl heptanoate" C8H16O2 XNCNNDVCAUWAIT-UHFFFAOYSA-N +HMDB0031479 116.120115134 1-Heptanol C7H16O BBMCTIGTTCKYKF-UHFFFAOYSA-N +HMDB0031481 116.120115134 xi-3-Heptanol C7H16O RZKSECIXORKHQS-UHFFFAOYSA-N +HMDB0031482 114.10446507 3-Heptanone C7H14O NGAZZOYFWWSOGK-UHFFFAOYSA-N +HMDB0031491 114.068079564 2,3-Hexanedione C6H10O2 MWVFCEVNXHTDNF-UHFFFAOYSA-N +HMDB0031492 114.068079564 3,4-Hexanedione C6H10O2 KVFQMAZOBTXCAZ-UHFFFAOYSA-N +HMDB0031496 98.073164942 2-Hexenal C6H10O MBDOYVRWFFCFHM-UHFFFAOYSA-N +HMDB0031507 88.0524295 1-Hydroxy-2-butanone C4H8O2 GFAZHVHNLUBROE-UHFFFAOYSA-N +HMDB0031512 84.057514878 "Tiglic aldehyde" C5H8O ACWQBUSCFPJUPN-HYXAFXHYSA-N +HMDB0031518 134.021523302 "D-Malic acid" C4H6O5 BJEPYKJPYRNKOW-UWTATZPHSA-N +HMDB0031523 74.036779436 "Methyl acetate" C3H6O2 KXKVLQRXCPHEJC-UHFFFAOYSA-N +HMDB0031525 86.073164942 (S)-2-Methylbutanal C5H10O BYGQBDHUGHBGMD-YFKPBYRVSA-N +HMDB0031526 86.073164942 (±)-2-Methylbutanal C5H10O BYGQBDHUGHBGMD-UHFFFAOYSA-N +HMDB0031527 88.088815006 (S)-2-Methyl-1-butanol C5H12O QPRQEDXDYOZYLA-UHFFFAOYSA-N +HMDB0031528 130.099379692 "Isopentyl acetate" C7H14O2 MLFHJEHSLIIPHL-UHFFFAOYSA-N +HMDB0031541 110.073164942 3-Methyl-2-cyclohexen-1-one C7H10O IITQJMYAYSNIMI-UHFFFAOYSA-N +HMDB0031548 83.953355478 Dichloromethane CH2Cl2 YMWUJEATGCHHMB-UHFFFAOYSA-N +HMDB0031549 114.10446507 5-Methyl-2-hexanone C7H14O FFWSICBKRCICMR-UHFFFAOYSA-N +HMDB0031554 396.014550705 Sucralose C12H19Cl3O8 BAQAVOSOZGMPRM-UHFFFAOYSA-N +HMDB0031563 98.073164942 "4-Methyl-3-penten-2-one, 9CI" C6H10O SHOJXDKTYKFBRD-UHFFFAOYSA-N +HMDB0031580 116.083729628 "(±)-2-Methylpentanoic acid" C6H12O2 OVBFMEVBMNZIBR-UHFFFAOYSA-N +HMDB0031582 124.088815006 6-Methyl-3,5-heptadien-2-one C8H12O KSKXSFZGARKWOW-XQRVVYSFSA-N +HMDB0031583 114.140850576 3-Methylheptane C8H18 LAIUFBWHERIJIH-UHFFFAOYSA-N +HMDB0031598 100.0524295 2,3-Pentanedione C5H8O2 TZMFJUDUGYTVRY-UHFFFAOYSA-N +HMDB0031599 88.088815006 2-Pentanol C5H12O JYVLIDXNZAXMDK-UHFFFAOYSA-N +HMDB0031604 86.073164942 (E)-2-Penten-1-ol C5H10O BTSIZIIPFNVMHF-ARJAWSKDSA-N +HMDB0031605 86.073164942 1-Penten-3-ol C5H10O VHVMXWZXFBOANQ-UHFFFAOYSA-N +HMDB0031607 84.057514878 1-Penten-3-one C5H8O JLIDVCMBCGBIEY-UHFFFAOYSA-N +HMDB0031619 146.073164942 2-Phenyl-2-butenal C10H10O DYAOGZLLMZQVHY-MBXJOHMKSA-N +HMDB0031638 144.115029756 "Pentyl propanoate" C8H16O2 TWSRVQVEYJNFKQ-UHFFFAOYSA-N +HMDB0031645 59.037113787 Acetamide C2H5NO DLFVBJFMPXGRIB-UHFFFAOYSA-N +HMDB0031646 102.031694058 "Acetic anhydride" C4H6O3 WFDIJRYMOXRFFG-UHFFFAOYSA-N +HMDB0031648 100.0524295 2,4-Pentanedione C5H8O2 YRKCREAYFQTBPV-UHFFFAOYSA-N +HMDB0031653 88.034670946 3-(Methylthio)-1-propene C4H8S NVLPQIPTCCLBEU-UHFFFAOYSA-N +HMDB0031681 128.083729628 Dihydro-5-propyl-2(3H)-furanone C7H12O2 VLSVVMPLPMNWBH-UHFFFAOYSA-N +HMDB0031716 106.045235632 3-(Methylthio)-1-propanol C4H10OS CZUGFKJYCPYHHV-UHFFFAOYSA-N +HMDB0031857 104.029585568 3-(Methylthio)propanal C4H8OS CLUWOWRTHNNBBU-UHFFFAOYSA-N +HMDB0031872 122.0223917 "Methyl propyl disulfide" C4H10S2 PUCHCUYBORIUSM-UHFFFAOYSA-N +HMDB0031875 139.978812326 "Methyl (methylthio)methyl disulfide" C3H8S3 MYIOBINSHMEDEY-UHFFFAOYSA-N +HMDB0032042 158.13067982 "Butyl 3-methylbutanoate" C9H18O2 AYWJSCLAAPJZEF-UHFFFAOYSA-N +HMDB0032045 172.146329884 "Pentyl 3-methylbutanoate" C10H20O2 QURFFFCYNQXLCU-UHFFFAOYSA-N +HMDB0032047 144.115029756 "Propyl 3-methylbutanoate" C8H16O2 LSJMDWFAADPNAX-UHFFFAOYSA-N +HMDB0032049 182.073164942 Benzophenone C13H10O RWCCWEUUXYIKHB-UHFFFAOYSA-N +HMDB0032055 197.080041233 N-Acetylhistidine C8H11N3O3 KBOJOGQFRVVWBH-UHFFFAOYSA-N +HMDB0032063 150.10446507 4-tert-Butylphenol C10H14O QHPQWRBYOIRBIT-UHFFFAOYSA-N +HMDB0032072 132.057514878 (Z)-3-Phenyl-2-propenal C9H8O KJPRLNWUNMBNBZ-DAXSKMNVSA-N +HMDB0032076 122.073164942 1-Methoxy-4-methylbenzene C8H10O CHLICZRVGGXEOD-UHFFFAOYSA-N +HMDB0032136 138.068079564 2-Methoxy-4-methylphenol C8H10O2 PETRWTHZSKVLRE-UHFFFAOYSA-N +HMDB0032208 275.188529049 "Citronellyl anthranilate" C17H25NO2 LSJVFMHIFWWGDY-UHFFFAOYSA-N +HMDB0032272 144.115029756 "Ethyl 4-methylpentanoate" C8H16O2 OFQRUTMGVBMTFQ-UHFFFAOYSA-N +HMDB0032386 422.23382426 2-Methylacetophenone C20H38O7S HNSDLXPSAYFUHK-UHFFFAOYSA-N +HMDB0032405 114.10446507 3-Methylhexanal C7H14O ZSJUABCTGCNBPF-UHFFFAOYSA-N +HMDB0032425 92.029585568 2-(Methylthio)ethanol C3H8OS WBBPRCNXBQTYLF-UHFFFAOYSA-N +HMDB0032572 152.047344122 Methylparaben C8H8O3 LXCFILQKKLGQFO-UHFFFAOYSA-N +HMDB0032594 152.047344122 "2-(Hydroxymethyl)benzoic acid" C8H8O3 MGMNPSAERQZUIM-UHFFFAOYSA-N +HMDB0032616 224.068473494 "Sinapic acid" C11H12O5 PCMORTLOPMLEFB-ONEGZZNKSA-N +HMDB0032619 122.073164942 1-Phenylethanol C8H10O WAPNOHKVXSQRPX-UHFFFAOYSA-N +HMDB0032623 134.073164942 1-Phenyl-1-propanone C9H10O KRIOVPPHQSLHCZ-UHFFFAOYSA-N +HMDB0032914 96.021129372 2-Furancarboxaldehyde C5H4O2 HYBBIBNJHNGZAN-UHFFFAOYSA-N +HMDB0032972 107.073499293 2,6-Dimethylpyridine C7H9N OISVCGZHLKNMSJ-UHFFFAOYSA-N +HMDB0032980 112.034670946 3,4-Dimethylthiophene C6H8S GPSFYJDZKSRMKZ-UHFFFAOYSA-N +HMDB0032985 143.040484605 5-(2-Hydroxyethyl)-4-methylthiazole C6H9NOS BKAWJIRCKVUVED-UHFFFAOYSA-N +HMDB0033002 110.036779436 5-Methyl-2-furancarboxaldehyde C6H6O2 OUDFNZMQXZILJD-UHFFFAOYSA-N +HMDB0033112 94.053098202 Methylpyrazine C5H6N2 CAWHJQAVHZEVTJ-UHFFFAOYSA-N +HMDB0033113 81.057849229 1-Methylpyrrole C5H7N OXHNLMTVIGZXSG-UHFFFAOYSA-N +HMDB0033116 99.014269855 4-Methylthiazole C4H5NS QMHIMXFNBOYPND-UHFFFAOYSA-N +HMDB0033119 98.019020882 3-Methylthiophene C5H6S QENGPZGAWFQWCZ-UHFFFAOYSA-N +HMDB0033127 110.036779436 2-Acetylfuran C6H6O2 IEMMBWWQXVXBEU-UHFFFAOYSA-N +HMDB0033143 254.126657074 Pyrraline C12H18N2O4 VTYFITADLSVOAS-UHFFFAOYSA-N +HMDB0033161 167.021857653 "2,6-Pyridinedicarboxylic acid" C7H5NO4 WJJMNDUMQPNECX-UHFFFAOYSA-N +HMDB0033167 156.115029756 "Ethyl cyclohexanecarboxylate" C9H16O2 JJOYCHKVKWDMEA-UHFFFAOYSA-N +HMDB0033182 96.057514878 2,5-Dimethylfuran C6H8O GSNUFIFRDBKVIE-UHFFFAOYSA-N +HMDB0033433 157.110278729 (S)-Homostachydrine C8H15NO2 XULZWQRXYTVUTE-ZETCQYMHSA-N +HMDB0033547 126.10446507 3-Octen-2-one C8H14O ZCFOBLITZWHNNC-VOTSOKGWSA-N +HMDB0033561 129.024834541 2-Acetyl-4,5-dihydrothiazole C5H7NOS FZOZFDAMVVEZSJ-UHFFFAOYSA-N +HMDB0033567 196.219100896 Cyclotetradecane C14H28 KATXJJSCAPBIOB-UHFFFAOYSA-N +HMDB0033585 162.993928343 Acesulfame C4H5NO4S YGCFIWIQZPHFLU-UHFFFAOYSA-N +HMDB0033620 172.146329884 "Hexyl butyrate" C10H20O2 XAPCMTMQBXLDBB-UHFFFAOYSA-N +HMDB0033676 102.10446507 (±)-3-Methyl-1-pentanol C6H14O IWTBVKIGCDZRPL-UHFFFAOYSA-N +HMDB0033704 180.063388116 L-Galactose C6H12O6 WQZGKKKJIJFFOK-SVZMEOIVSA-N +HMDB0033713 170.167065326 2-Undecanone C11H22O KYWIYKKSMDLRDC-UHFFFAOYSA-N +HMDB0033714 98.073164942 2-Methyl-2-pentenal C6H10O IDEYZABHVQLHAF-XQRVVYSFSA-N +HMDB0033721 254.297351216 Octadecane C18H38 RZJRJXONCZWCBN-UHFFFAOYSA-N +HMDB0033742 102.068079564 "(S)-2-Methylbutanoic acid" C5H10O2 WLAMNBDJUVNPJU-BYPYZUCNSA-N +HMDB0033745 130.099379692 "Ethyl 2-methylbutyrate" C7H14O2 HCRBXQFHJMCTLF-UHFFFAOYSA-N +HMDB0033752 166.062994186 "3-(2-Hydroxyphenyl)propanoic acid" C9H10O3 CJBDUOMQLFKVQC-UHFFFAOYSA-N +HMDB0033774 116.083729628 "3-Methylpentanoic acid" C6H12O2 IGIDLTISMCAULB-UHFFFAOYSA-N +HMDB0033777 88.088815006 3-Methyl-2-butanol C5H12O MXLMTQWGSQIYOW-UHFFFAOYSA-N +HMDB0033788 228.20893014 "Ethyl dodecanoate" C14H28O2 MMXKVMNBHPAILY-UHFFFAOYSA-N +HMDB0033792 226.266051088 Hexadecane C16H34 DCAYPVUWAIABOU-UHFFFAOYSA-N +HMDB0033837 146.057908808 "Dimethyl succinate" C6H10O4 MUXOBHXGJLMRAB-UHFFFAOYSA-N +HMDB0033840 100.0524295 Dihydro-5-methyl-2(3H)-furanone C5H8O2 GAEKPEKOJKCEMS-UHFFFAOYSA-N +HMDB0033889 116.083729628 "Ethyl butyrate" C6H12O2 OBNCKNCVKJNDBV-UHFFFAOYSA-N +HMDB0033890 102.068079564 "Methyl butyrate" C5H10O2 UUIQMZJEGPQKFD-UHFFFAOYSA-N +HMDB0033896 344.23514489 "Anacardic acid" C22H32O3 KAOMOVYHGLSFHQ-UTOQUPLUSA-N +HMDB0033908 116.120115134 (±)-2-Heptanol C7H16O CETWDUZRCINIHU-UHFFFAOYSA-N +HMDB0033910 120.057514878 Acetophenone C8H8O KWOLFJPFCHCOCG-UHFFFAOYSA-N +HMDB0033916 144.151415262 2-Nonanol C9H20O NGDNVOAEIVQRFH-UHFFFAOYSA-N +HMDB0033933 184.18271539 "Lauric aldehyde" C12H24O HFJRKMMYBMWEAD-UHFFFAOYSA-N +HMDB0033944 122.073164942 2-Phenylethanol C8H10O WRMNZCZEMHIOCP-UHFFFAOYSA-N +HMDB0033962 136.088815006 3-Phenyl-1-propanol C9H12O VAJVDSVGBWFCLW-UHFFFAOYSA-N +HMDB0034006 59.073499293 1-Propylamine C3H9N WGYKZJWCGVVSQN-UHFFFAOYSA-N +HMDB0034029 120.093900384 Isopropylbenzene C9H12 RWGFKTVRMDUZSP-UHFFFAOYSA-N +HMDB0034106 72.998619791 "Methyl isothiocyanate" C2H3NS LGDSHSYDSCRFAB-UHFFFAOYSA-N +HMDB0034121 148.088815006 1-Methoxy-4-(2-propenyl)benzene C10H12O ZFMSMUAANRJZFM-UHFFFAOYSA-N +HMDB0034136 200.177630012 "Octyl butanoate" C12H24O2 PWLNAUNEAKQYLH-UHFFFAOYSA-N +HMDB0034146 283.287514811 Octadecanamide C18H37NO LYRFLYHAGKPMFH-UHFFFAOYSA-N +HMDB0034148 198.198365454 2-Tridecanone C13H26O CYIFVRUOHKNECG-UHFFFAOYSA-N +HMDB0034154 298.28718046 "Methyl stearate" C19H38O2 HPEUJPJOZXNMSJ-UHFFFAOYSA-N +HMDB0034161 144.115029756 "2-Methylpropyl butanoate" C8H16O2 RGFNRWTWDWVHDD-UHFFFAOYSA-N +HMDB0034163 116.083729628 "3-Methylbutyl formate" C6H12O2 XKYICAQFSCFURC-UHFFFAOYSA-N +HMDB0034164 144.115029756 "3-Methylbutyl propanoate" C8H16O2 XAOGXQMKWQFZEM-UHFFFAOYSA-N +HMDB0034165 158.13067982 "Propyl hexanoate" C9H18O2 HTUIWRWYYVBCFT-UHFFFAOYSA-N +HMDB0034168 92.062600256 Toluene C7H8 YXFVVABEGXRONW-UHFFFAOYSA-N +HMDB0034170 122.036779436 2-Hydroxybenzaldehyde C7H6O2 SMQUZDBALVYZAC-UHFFFAOYSA-N +HMDB0034172 152.047344122 "Methyl 2-hydroxybenzoate" C8H8O3 OSWPMRLSEDHDFF-UHFFFAOYSA-N +HMDB0034219 194.07903818 D-Pinitol C7H14O6 DSCFFEYYQKSRSV-KLJZZCKASA-N +HMDB0034220 180.063388116 Levoinositol C6H12O6 CDAISMWEOUEBRE-SHFUYGGZSA-N +HMDB0034227 472.39164553 "alpha-Tocopherol acetate" C31H52O3 ZAKOWWREFLAJOT-UHFFFAOYSA-N +HMDB0034233 70.041864814 (E)-2-Butenal C4H6O MLUCVPSAIODCQM-IHWYPQMZSA-N +HMDB0034235 86.073164942 2-Pentanone C5H10O XNLICIUVMPYHGG-UHFFFAOYSA-N +HMDB0034237 102.068079564 "Propyl acetate" C5H10O2 YKYONYBAUNKHLG-UHFFFAOYSA-N +HMDB0034238 76.034670946 1-Propanethiol C3H8S SUVIGLJNEAMWEG-UHFFFAOYSA-N +HMDB0034239 130.099379692 "2-Methylpropyl propanoate" C7H14O2 FZXRXKLUIMKDEL-UHFFFAOYSA-N +HMDB0034240 104.062600256 Styrene C8H8 PPBRXRYQALVLMV-UHFFFAOYSA-N +HMDB0034252 175.084457909 "2-Aminoheptanedioic acid" C7H13NO4 JUQLUIFNNFIIKC-UHFFFAOYSA-N +HMDB0034283 212.214015518 Tetradecanal C14H28O UHUFTBALEZWWIH-UHFFFAOYSA-N +HMDB0034284 184.219100896 Tridecane C13H28 IIYFAKIEWZDVMP-UHFFFAOYSA-N +HMDB0034289 268.31300128 Nonadecane C19H40 LQERIDTXQFOHKA-UHFFFAOYSA-N +HMDB0034296 310.28718046 "11-Eicosenoic acid" C20H38O2 BITHHVVYSMSWAG-UHFFFAOYSA-N +HMDB0034297 298.250794954 "Ricinoleic acid" C18H34O3 WBHHMMIMDMUBKC-XFXZXTDPSA-N +HMDB0034301 85.089149357 Piperidine C5H11N NQRYJNQNLNOLGT-UHFFFAOYSA-N +HMDB0034367 278.093642862 gamma-Glutamylmethionine C10H18N2O5S RQNSKRXMANOPQY-BQBZGAKWSA-N +HMDB0034606 158.13067982 "Hexyl propionate" C9H18O2 GOKKOFHHJFGZHW-UHFFFAOYSA-N +HMDB0034970 136.125200512 (S)-alpha-Phellandrene C10H16 OGLDWXZKYODSOB-JTQLQIEISA-N +HMDB0034997 204.187800768 beta-Selinene C15H24 YOVSPTNQHMDJAG-UHFFFAOYSA-N +HMDB0035093 156.151415262 D-Citronellol C10H20O QMVPMAAFGQKVCJ-SNVBAGLBSA-N +HMDB0035094 156.151415262 L-Citronellol C10H20O QMVPMAAFGQKVCJ-SNVBAGLBSA-N +HMDB0035226 124.0524295 2-Acetyl-5-methylfuran C7H8O2 KEFJLCGVTHRGAH-UHFFFAOYSA-N +HMDB0035238 130.099379692 "Methyl hexanoate" C7H14O2 NUKZAGXMHTUAFE-UHFFFAOYSA-N +HMDB0035239 98.073164942 4-Hexen-3-one C6H10O FEWIGMWODIRUJM-HWKANZROSA-N +HMDB0035248 108.068748266 2,6-Dimethylpyrazine C6H8N2 HJFZAYHYIWGLNL-UHFFFAOYSA-N +HMDB0035289 108.068748266 2,5-Dimethylpyrazine C6H8N2 LCZUOKDVTBMCMX-UHFFFAOYSA-N +HMDB0035514 191.058243159 "xi-2,3-Dihydro-2-oxo-1H-indole-3-acetic acid" C10H9NO3 ILGMGHZPXRDCCS-UHFFFAOYSA-N +HMDB0035619 136.125200512 alpha-Carene C10H16 BQOFWKZOCNGFEC-UHFFFAOYSA-N +HMDB0035658 136.125200512 (-)-alpha-Pinene C10H16 GRWFGVWFFZKLTI-RKDXNWHRSA-N +HMDB0035765 156.151415262 p-Menthan-3-ol C10H20O NOOLISFMXDJSKH-UHFFFAOYSA-N +HMDB0035770 150.104465071 5-Isopropyl-2-methylphenol C10H14O RECUKUPTGUEGMW-UHFFFAOYSA-N +HMDB0035833 154.1357652 p-Menth-1-en-4-ol C10H18O WRYLYDPHFGVWKC-UHFFFAOYSA-N +HMDB0035850 136.125200515 alpha-Phellandrene C10H16 OGLDWXZKYODSOB-UHFFFAOYSA-N +HMDB0035851 136.125200512 (R)-alpha-Phellandrene C10H16 OGLDWXZKYODSOB-SNVBAGLBSA-N +HMDB0035913 204.187800768 beta-Farnesene C15H24 JSNRRGGBADWTMC-QINSGFPZSA-N +HMDB0035915 126.10446507 Sulcatone C8H14O UHEPJGULSIKKTP-UHFFFAOYSA-N +HMDB0035924 67.042199165 Pyrrole C4H5N KAESVJOAVNADME-UHFFFAOYSA-N +HMDB0036065 204.187800768 alpha-Farnesene C15H24 CXENHBSYCFFKJS-DZKMRSEMSA-N +HMDB0036081 136.125200515 beta-Phellandrene C10H16 LFJQCDVYDGGFCH-UHFFFAOYSA-N +HMDB0036100 154.1357652 3,7-Dimethyl-1,6-octadien-3-ol C10H18O CDOSHBSSFJOMGT-UHFFFAOYSA-N +HMDB0036101 154.135765198 (R)-3,7-Dimethyl-1,6-octadien-3-ol C10H18O CDOSHBSSFJOMGT-SNVBAGLBSA-N +HMDB0036102 154.135765198 D-Linalool C10H18O CDOSHBSSFJOMGT-SNVBAGLBSA-N +HMDB0036163 204.187800773 beta-Sesquiphellandrene C15H24 PHWISBHSBNDZDX-UHFFFAOYSA-N +HMDB0036209 130.099379692 "Propyl 2-methylpropanoate" C7H14O2 AZFUASHXSOTBNU-UHFFFAOYSA-N +HMDB0036228 172.146329884 "2-Methylpropyl hexanoate" C10H20O2 UXUPPWPIGVTVQI-UHFFFAOYSA-N +HMDB0036323 686.278585424 "Secoisolariciresinol 9,9'-diglucoside" C32H46O16 SBVBJPHMDABKJV-UHFFFAOYSA-N +HMDB0036413 204.187800768 alpha-Cubebene C15H24 XUEHVOLRMXNRKQ-UHFFFAOYSA-N +HMDB0036453 200.15650064 3,4-Dihydrocadalene C15H20 CUUMXRBKJIDIAY-UHFFFAOYSA-N +HMDB0036467 204.187800768 alpha-Humulene C15H24 FAMPSKZZVDUYOS-KXWHQPPKSA-N +HMDB0036559 136.125200512 (-)-beta-Pinene C10H16 WTARULDDTDQWMU-IUCAKERBSA-N +HMDB0036560 136.125200515 beta-Pinene C10H16 WTARULDDTDQWMU-UHFFFAOYSA-N +HMDB0036574 75.94414138 "Carbon disulfide" CS2 QGJOPFRUJISHPQ-UHFFFAOYSA-N +HMDB0036657 426.386166222 Epi-alpha-amyrin C30H50O FSLPMRQHCOLESF-QJYIJPODSA-N +HMDB0036678 204.187800768 alpha-Bergamotene C15H24 YMBFCQPIMVLNIU-GRKKQISMSA-N +HMDB0036792 204.187800773 beta-Caryophyllene C15H24 NPNUFJAVOOONJE-GFUGXAQUSA-N +HMDB0036994 136.125200515 Terpinolene C10H16 MOYAFQVGZZPNRA-UHFFFAOYSA-N +HMDB0037013 134.109550448 p-Mentha-1,3,8-triene C10H14 XNMPFDIYAMOYRM-UHFFFAOYSA-N +HMDB0037020 156.151415262 p-Menthan-1-ol C10H20O CMLYGGFIXXLYQT-UHFFFAOYSA-N +HMDB0037050 134.109550448 1-Isopropyl-2-methylbenzene C10H14 WWRCMNKATXZARA-UHFFFAOYSA-N +HMDB0037051 134.109550448 1-Isopropyl-3-methylbenzene C10H14 XCYJPXQACVEIOS-UHFFFAOYSA-N +HMDB0037396 300.266445018 "xi-10-Hydroxyoctadecanoic acid" C18H36O3 PAZZVPKITDJCPV-UHFFFAOYSA-N +HMDB0037788 84.057514878 xi-2,3-Dihydro-3-methylfuran C5H8O GLXIOXNPORODGG-UHFFFAOYSA-N +HMDB0038040 158.13067982 "2-Methylpropyl 3-methylbutanoate" C9H18O2 KEBDNKNVCHQIJU-UHFFFAOYSA-N +HMDB0038169 136.125200515 7-Methyl-3-methylene-1,6-octadiene C10H16 UAHWPYUMFXYFJY-UHFFFAOYSA-N +HMDB0038602 172.146329884 "Octyl acetate" C10H20O2 YLYBTZIQSIBWLI-UHFFFAOYSA-N +HMDB0038666 290.090271568 "L-N-(1H-Indol-3-ylacetyl)aspartic acid" C14H14N2O5 VAFNMNRKDDAKRM-UHFFFAOYSA-N +HMDB0039095 130.099379692 "Pentyl acetate" C7H14O2 PGMYKACGEOXYJE-UHFFFAOYSA-N +HMDB0039216 158.13067982 "Butyl 2-methylbutanoate" C9H18O2 OTKQNSSMCDLVQV-UHFFFAOYSA-N +HMDB0039229 257.101170605 Pyro-L-glutaminyl-L-glutamine C10H15N3O5 ILAITOFTZJRIFJ-WDSKDSINSA-N +HMDB0039618 130.099379692 "Propyl butyrate" C7H14O2 HUAZGNHGCJGYNP-UHFFFAOYSA-N +HMDB0039619 130.099379692 "Isopropyl butyrate" C7H14O2 FFOPEPMHKILNIT-UHFFFAOYSA-N +HMDB0039620 144.115029756 "Butyl butyrate" C8H16O2 XUPYJHCZDLZNFP-UHFFFAOYSA-N +HMDB0039843 132.060885696 "S-Methyl 3-methylthiobutyrate" C6H12OS MPLWTJZAFOVXKP-UHFFFAOYSA-N +HMDB0040209 144.115029756 "Ethyl hexanoate" C8H16O2 SHZIWNPUGXLXDT-UHFFFAOYSA-N +HMDB0040211 172.146329884 "Butyl hexanoate" C10H20O2 RPRPDTXKGSIXMD-UHFFFAOYSA-N +HMDB0040221 158.13067982 "Isoamyl butyrate" C9H18O2 PQLMXFQTAMDXIZ-UHFFFAOYSA-N +HMDB0040240 154.081621138 2-Pentylthiophene C9H14S NOYVOSGVFSEKPR-UHFFFAOYSA-N +HMDB0040272 124.088815006 2-Butylfuran C8H12O NWZIYQNUCXUJJJ-UHFFFAOYSA-N +HMDB0040295 158.13067982 "Butyl pentanoate" C9H18O2 OKJADYKTJJGKDX-UHFFFAOYSA-N +HMDB0040296 144.115029756 "Propyl pentanoate" C8H16O2 ROJKPKOYARNFNB-UHFFFAOYSA-N +HMDB0040297 130.099379692 "Ethyl pentanoate" C7H14O2 ICMAFTSLXCXHRK-UHFFFAOYSA-N +HMDB0040575 102.068079564 "Butyl formate" C5H10O2 NMJJFJNHVMGPGM-UHFFFAOYSA-N +HMDB0040726 170.13067982 "(±)-cis-Linalyl oxide" C10H18O2 BRHDDEIRQPDPMG-PSASIEDQSA-N +HMDB0040733 136.0524295 "Phenyl acetate" C8H8O2 IPBVNPXQWQGGJP-UHFFFAOYSA-N +HMDB0041011 152.120115134 beta-Cyclocitral C10H16O MOQGCGNUWBPGTQ-UHFFFAOYSA-N +HMDB0041389 120.006741636 "Methyl 2-propenyl disulfide" C4H8S2 XNZOTQPMYMCTBZ-UHFFFAOYSA-N +HMDB0041607 138.068079562 2-Phenoxyethanol C8H10O2 QCDWFXQBSFUVSP-UHFFFAOYSA-N +HMDB0041623 411.150246044 N6-Carbamoyl-L-threonyladenosine C15H21N7O7 GYCVHQYQICRFAX-CKTDUXNWSA-N +HMDB0041633 136.125200512 (-)-beta-Phellandrene C10H16 LFJQCDVYDGGFCH-JTQLQIEISA-N +HMDB0041634 136.125200512 (+)-beta-Phellandrene C10H16 LFJQCDVYDGGFCH-JTQLQIEISA-N +HMDB0041822 56.02621475 Acrolein C3H4O HGINCPLSRVDWNT-UHFFFAOYSA-N +HMDB0041842 204.126263144 Bufotenin C12H16N2O VTTONGPRPXSUTJ-UHFFFAOYSA-N +HMDB0041932 179.131014171 Methylephedrine C11H17NO FMCGSUUBYTWNDP-UHFFFAOYSA-N +HMDB0041971 145.969005542 P-Dichlorobenzene C6H4Cl2 OCJBOOLMMGQPQU-UHFFFAOYSA-N +HMDB0042063 750.673740618 TG(14:0/14:0/16:0) C47H90O6 AMXRERGJDVUTMF-SJARJILFSA-N +HMDB0042068 720.626790425 TG(14:0/14:0/14:1(9Z)) C45H84O6 DOEBPNOTMREOMP-FZTZZYPMSA-N +HMDB0042092 750.673740618 TG(14:0/15:0/15:0) C47H90O6 ROBJWPSKKQDYDD-SJARJILFSA-N +HMDB0042121 750.673740612 TG(14:0/16:0/14:0) C47H90O6 UXWDTZNNQVHGSG-UHFFFAOYSA-N +HMDB0042135 888.814591198 TG(14:0/16:0/24:1(15Z)) C57H108O6 ABNSWGKFFQUIAR-KAESFFBXSA-N +HMDB0042143 852.720690811 TG(14:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C55H96O6 DBIJZZLMYBLAQP-WLYRKDTMSA-N +HMDB0042148 852.720690811 TG(14:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C55H96O6 PDOWBMFLISSQRT-BAWFBKEMSA-N +HMDB0042163 856.75199094 TG(14:0/18:0/20:3(5Z,8Z,11Z)) C55H100O6 RVRHSALQSYBGAG-BWCQLJFBSA-N +HMDB0042164 888.814591198 TG(14:0/18:0/22:1(13Z)) C57H108O6 BXFHKVOMHBKGBJ-ULQCEOSSSA-N +HMDB0042165 916.845891326 TG(14:0/18:0/24:1(15Z)) C59H112O6 WDOQOSSKIJDAOB-LIZMGIQCSA-N +HMDB0042169 856.75199094 TG(14:0/18:0/20:3n6) C55H100O6 ZYFACDKCDVPZSE-DYFNGAEKSA-N +HMDB0042172 882.767641004 TG(14:0/18:0/22:4(7Z,10Z,13Z,16Z)) C57H102O6 XEOFILXSSITART-MCSSEQPZSA-N +HMDB0042173 880.75199094 TG(14:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C57H100O6 HJBSNTKEHJKZIB-KKMCUQKISA-N +HMDB0042177 852.720690811 TG(14:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C55H96O6 JYQXYTFYWDKLPT-JLHNSBSWSA-N +HMDB0042178 880.75199094 TG(14:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C57H100O6 IEIOCZLRHWBWAA-KWJYYFBQSA-N +HMDB0042192 888.814591198 TG(14:0/20:0/20:1(11Z)) C57H108O6 WEUNTUVUAWDABH-ULQCEOSSSA-N +HMDB0042193 884.783291069 TG(14:0/20:0/20:3(5Z,8Z,11Z)) C57H104O6 MPHCGZMQUSAMKJ-VVCUYWKZSA-N +HMDB0042194 916.845891326 TG(14:0/20:0/22:1(13Z)) C59H112O6 MZXXNIIBQUJJGT-LIZMGIQCSA-N +HMDB0042197 856.75199094 TG(14:0/20:0/18:3(6Z,9Z,12Z)) C55H100O6 AWDHZZVHWUIZSY-MCMWNUHLSA-N +HMDB0042199 884.783291069 TG(14:0/20:0/20:3n6) C57H104O6 SENTUJWTPLLHAV-TVXYYDOCSA-N +HMDB0042200 882.767641004 TG(14:0/20:0/20:4(5Z,8Z,11Z,14Z)) C57H102O6 XJKXBTKTOXZQFL-OGCNKRQBSA-N +HMDB0042201 914.830241262 TG(14:0/20:0/22:2(13Z,16Z)) C59H110O6 RCZREYIMELSGSA-KNAYTQRDSA-N +HMDB0042204 856.75199094 TG(14:0/20:0/18:3(9Z,12Z,15Z)) C55H100O6 LIMGVWSRPUIYTD-JHHRBSFXSA-N +HMDB0042206 882.767641004 TG(14:0/20:0/20:4(8Z,11Z,14Z,17Z)) C57H102O6 GEYNVUPCUDZJMH-QPAZPBKESA-N +HMDB0042207 880.75199094 TG(14:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z)) C57H100O6 QVTBPCIHCQQWGM-XDWOALPCSA-N +HMDB0042220 888.814591198 TG(14:0/22:0/18:1(11Z)) C57H108O6 HOPNBDYQIPEPJT-AEGUMOJNSA-N +HMDB0042221 888.814591198 TG(14:0/22:0/18:1(9Z)) C57H108O6 KGVRIPFAUKNKTG-LCJXGUSNSA-N +HMDB0042222 916.845891326 TG(14:0/22:0/20:1(11Z)) C59H112O6 VAGKZVNTAZNDGU-WOGGMIHASA-N +HMDB0042225 972.908491584 TG(14:0/22:0/24:1(15Z)) C63H120O6 NSFHIRVYTDSVSD-HFGOSKLVSA-N +HMDB0042227 884.783291069 TG(14:0/22:0/18:3(6Z,9Z,12Z)) C57H104O6 BLXQIUODGKBTGK-LCWYSKTQSA-N +HMDB0042228 914.830241262 TG(14:0/22:0/20:2n6) C59H110O6 SDBSYLMJMSWVJK-KIMIJDTCSA-N +HMDB0042231 942.861541391 TG(14:0/22:0/22:2(13Z,16Z)) C61H114O6 NFQQJRGJJVQGAV-QJPSUNIMSA-N +HMDB0042232 938.830241262 TG(14:0/22:0/22:4(7Z,10Z,13Z,16Z)) C61H110O6 OWUCYMBXHHXZRL-PYJJMNJSSA-N +HMDB0042234 884.783291069 TG(14:0/22:0/18:3(9Z,12Z,15Z)) C57H104O6 RYZULKIDHZXLHX-SKOKRVOXSA-N +HMDB0042235 882.767641004 TG(14:0/22:0/18:4(6Z,9Z,12Z,15Z)) C57H102O6 JADYBVKYENQSPF-STNIKBRNSA-N +HMDB0042249 888.814591198 TG(14:0/24:0/16:1(9Z)) C57H108O6 HPJWNEPHGPSMML-AEGUMOJNSA-N +HMDB0042250 916.845891326 TG(14:0/24:0/18:1(11Z)) C59H112O6 XOKFJRGPQQOMMF-SKYDHSLNSA-N +HMDB0042251 916.845891326 TG(14:0/24:0/18:1(9Z)) C59H112O6 VCRFEZPIACRCNR-JAIQLVPXSA-N +HMDB0042253 940.845891326 TG(14:0/24:0/20:3(5Z,8Z,11Z)) C61H112O6 LETIJHNTNHPKEB-UHHIIOKNSA-N +HMDB0042254 972.908491584 TG(14:0/24:0/22:1(13Z)) C63H120O6 KWBNOUOFUVIQGL-HBFRPXMKSA-N +HMDB0042256 914.830241262 TG(14:0/24:0/18:2(9Z,12Z)) C59H110O6 LWNAPQADTXCNTE-VGDHFZSHSA-N +HMDB0042258 942.861541391 TG(14:0/24:0/20:2n6) C61H114O6 CUQAJKYGEQUKMM-GEHBLPSASA-N +HMDB0042259 940.845891326 TG(14:0/24:0/20:3n6) C61H112O6 ZXABCMZUYUPINF-TVCAPLPFSA-N +HMDB0042260 938.830241262 TG(14:0/24:0/20:4(5Z,8Z,11Z,14Z)) C61H110O6 ZRUKEJWPGFFHOE-SNNTZUALSA-N +HMDB0042261 970.89284152 TG(14:0/24:0/22:2(13Z,16Z)) C63H118O6 NDJUOSGUPZFLID-PUAIEPDKSA-N +HMDB0042262 966.861541391 TG(14:0/24:0/22:4(7Z,10Z,13Z,16Z)) C63H114O6 ZBAKDZKUJDNKLJ-UIFJXNOLSA-N +HMDB0042263 964.845891326 TG(14:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H112O6 LJKKMUUFGNOAAL-PAPTWNMMSA-N +HMDB0042266 938.830241262 TG(14:0/24:0/20:4(8Z,11Z,14Z,17Z)) C61H110O6 BYFGMMQHMLHSEK-IQEITMBBSA-N +HMDB0042268 964.845891326 TG(14:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H112O6 IYXYOIWMWJMTGN-QYNAZUPGSA-N +HMDB0042269 962.830241262 TG(14:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H110O6 SYMRDJKPDMMRLM-DENXNWMJSA-N +HMDB0042271 720.62679042 TG(14:0/14:1(9Z)/14:0) C45H84O6 FSNNOULJUSMJGI-SDXDJHTJSA-N +HMDB0042307 888.814591198 TG(14:0/16:1(9Z)/24:0) C57H108O6 KWFQLWFYKULMGD-AEGUMOJNSA-N +HMDB0042321 856.75199094 TG(14:0/16:1(9Z)/22:2(13Z,16Z)) C55H100O6 FICVIOYVXOEZEN-QPRILOHKSA-N +HMDB0042322 852.720690811 TG(14:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C55H96O6 XOVZBEYRPDKHAL-OOBFHMLASA-N +HMDB0042336 888.814591198 TG(14:0/18:1(11Z)/22:0) C57H108O6 JNAGPKIFCRPVFY-AEGUMOJNSA-N +HMDB0042337 916.845891326 TG(14:0/18:1(11Z)/24:0) C59H112O6 NZEDZJHGVGEWRO-SKYDHSLNSA-N +HMDB0042345 914.830241262 TG(14:0/18:1(11Z)/24:1(15Z)) C59H110O6 XMQODCFBJXQBDV-FRHRWYISSA-N +HMDB0042348 856.75199094 TG(14:0/18:1(11Z)/20:2n6) C55H100O6 BVZUJVWCCYACND-RFTPNAAMSA-N +HMDB0042350 852.720690811 TG(14:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C55H96O6 AMPQNKRQIPPNFC-JUFFAWNHSA-N +HMDB0042351 884.783291069 TG(14:0/18:1(11Z)/22:2(13Z,16Z)) C57H104O6 JBBJXVATNOPWNT-CGBZTZCNSA-N +HMDB0042352 880.75199094 TG(14:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C57H100O6 XLTDBJCJNQRMTH-GJPBRVKDSA-N +HMDB0042356 852.720690811 TG(14:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C55H96O6 JPNVFKJWXNFOKV-SLZXXFFXSA-N +HMDB0042366 888.814591198 TG(14:0/18:1(9Z)/22:0) C57H108O6 SCJKAJUAZPTDRO-LCJXGUSNSA-N +HMDB0042367 916.845891326 TG(14:0/18:1(9Z)/24:0) C59H112O6 RUZNGRCQLAJOGE-JAIQLVPXSA-N +HMDB0042375 914.830241262 TG(14:0/18:1(9Z)/24:1(15Z)) C59H110O6 GJHGQWDONIZQBR-XEFQVAJMSA-N +HMDB0042378 856.75199094 TG(14:0/18:1(9Z)/20:2n6) C55H100O6 HNKDMZBYGADBFP-LOUZIDRQSA-N +HMDB0042380 852.720690811 TG(14:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C55H96O6 ITNUXAAETYEROX-ROWCXXIOSA-N +HMDB0042381 884.783291069 TG(14:0/18:1(9Z)/22:2(13Z,16Z)) C57H104O6 CQKDVCRIDIZFBZ-AILSCRDTSA-N +HMDB0042382 880.75199094 TG(14:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C57H100O6 XSDZXQPLCUUMHQ-UVCLIKTKSA-N +HMDB0042386 852.720690811 TG(14:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C55H96O6 ZMAGTKGPGZLWKS-AJFURAKFSA-N +HMDB0042395 888.814591198 TG(14:0/20:1(11Z)/20:0) C57H108O6 JOYRTBZPFLTFIB-SEDDCBKKSA-N +HMDB0042396 916.845891326 TG(14:0/20:1(11Z)/22:0) C59H112O6 YSLQGXDXYVVXSS-WOGGMIHASA-N +HMDB0042403 882.767641004 TG(14:0/20:1(11Z)/20:3(5Z,8Z,11Z)) C57H102O6 MSCHPHKYTIAZQI-YRNGPHGYSA-N +HMDB0042404 914.830241262 TG(14:0/20:1(11Z)/22:1(13Z)) C59H110O6 AYBAPOVPJJUOKS-XWDCVAGASA-N +HMDB0042405 942.861541391 TG(14:0/20:1(11Z)/24:1(15Z)) C61H114O6 ZIESYZCKIBNJDP-SUORVOMPSA-N +HMDB0042406 856.75199094 TG(14:0/20:1(11Z)/18:2(9Z,12Z)) C55H100O6 UOGFRTWKEGEEJU-GZAUDGQBSA-N +HMDB0042408 884.783291069 TG(14:0/20:1(11Z)/20:2n6) C57H104O6 BLFWZVXARGMXGK-BSXLTLLISA-N +HMDB0042409 882.767641004 TG(14:0/20:1(11Z)/20:3n6) C57H102O6 PEGBVZIRKWFBAT-JRYSQXLCSA-N +HMDB0042410 880.75199094 TG(14:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C57H100O6 YJIQPDYUKSNQSN-HVVTZQISSA-N +HMDB0042415 852.720690811 TG(14:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C55H96O6 LBUUFNMBIYFPRT-BITRGYHOSA-N +HMDB0042416 880.75199094 TG(14:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C57H100O6 JKPSHAYASLXJTD-HOEOXLNCSA-N +HMDB0042424 856.75199094 TG(14:0/20:3(5Z,8Z,11Z)/18:0) C55H100O6 VBYDXPQVGUJUTN-JSMSRUFTSA-N +HMDB0042425 884.783291069 TG(14:0/20:3(5Z,8Z,11Z)/20:0) C57H104O6 RRKINLPZPZCTKA-LMZWPPTNSA-N +HMDB0042427 940.845891326 TG(14:0/20:3(5Z,8Z,11Z)/24:0) C61H112O6 LRUXRFQLJJKABR-NTRBDCRGSA-N +HMDB0042432 882.767641004 TG(14:0/20:3(5Z,8Z,11Z)/20:1(11Z)) C57H102O6 XGUAEFVIYUUGBB-SFLWHIISSA-N +HMDB0042435 938.830241262 TG(14:0/20:3(5Z,8Z,11Z)/24:1(15Z)) C61H110O6 TXWDWSJYGIFVKP-QTUURNJWSA-N +HMDB0042436 852.720690811 TG(14:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)) C55H96O6 QQWCQYWWJUBCHW-FOFSZCNFSA-N +HMDB0042438 880.75199094 TG(14:0/20:3(5Z,8Z,11Z)/20:2n6) C57H100O6 WKYUVRSDBBUBSZ-FFQUBBCJSA-N +HMDB0042449 900.720690811 TG(14:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C59H96O6 LDSWEOUGZDGWFT-JSUZTTPBSA-N +HMDB0042450 842.772726384 TG(14:0/20:3(5Z,8Z,11Z)/o-18:0) C55H102O5 VHTASOICTBAXTL-CEMHFFQRSA-N +HMDB0042454 888.814591198 TG(14:0/22:1(13Z)/18:0) C57H108O6 KTVQVVATLSBTAO-ULQCEOSSSA-N +HMDB0042455 916.845891326 TG(14:0/22:1(13Z)/20:0) C59H112O6 HLUWGRVFRNCPHH-LIZMGIQCSA-N +HMDB0042457 972.908491584 TG(14:0/22:1(13Z)/24:0) C63H120O6 ABGAPQWSCYUSJV-HBFRPXMKSA-N +HMDB0042462 914.830241262 TG(14:0/22:1(13Z)/20:1(11Z)) C59H110O6 GKCAFLCQQIADCE-XWDCVAGASA-N +HMDB0042464 942.861541391 TG(14:0/22:1(13Z)/22:1(13Z)) C61H114O6 UFZBCZHRQDOVGQ-SUORVOMPSA-N +HMDB0042465 970.89284152 TG(14:0/22:1(13Z)/24:1(15Z)) C63H118O6 JOLAYFVNYLLIOH-RFEPONRGSA-N +HMDB0042466 884.783291069 TG(14:0/22:1(13Z)/18:2(9Z,12Z)) C57H104O6 JSFLWCDRHPDCLD-HSDDVKJASA-N +HMDB0042467 882.767641004 TG(14:0/22:1(13Z)/18:3(6Z,9Z,12Z)) C57H102O6 XHMARDUNPRBYKM-QGCRNVCTSA-N +HMDB0042471 940.845891326 TG(14:0/22:1(13Z)/22:2(13Z,16Z)) C61H112O6 FXCUDDKMKYVUSX-VHNKQUBFSA-N +HMDB0042474 882.767641004 TG(14:0/22:1(13Z)/18:3(9Z,12Z,15Z)) C57H102O6 MBGJURGZJWMMPU-IXGFBZFASA-N +HMDB0042475 880.75199094 TG(14:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z)) C57H100O6 HPPGYJJKGFAKGA-TWHLFXJFSA-N +HMDB0042480 874.835326642 TG(14:0/22:1(13Z)/o-18:0) C57H110O5 OWDZAXOWKQAOKC-NQFDQYIDSA-N +HMDB0042483 888.814591198 TG(14:0/24:1(15Z)/16:0) C57H108O6 ZALJSAZYHMHSGO-KAESFFBXSA-N +HMDB0042484 916.845891326 TG(14:0/24:1(15Z)/18:0) C59H112O6 QKSXLUQUGVRSFU-LIZMGIQCSA-N +HMDB0042486 972.908491584 TG(14:0/24:1(15Z)/22:0) C63H120O6 PJQSYBAZIMBSRZ-HFGOSKLVSA-N +HMDB0042490 914.830241262 TG(14:0/24:1(15Z)/18:1(11Z)) C59H110O6 OPXVSFLGAKIILH-FRHRWYISSA-N +HMDB0042491 914.830241262 TG(14:0/24:1(15Z)/18:1(9Z)) C59H110O6 VWLZYYAQPNZEAL-XEFQVAJMSA-N +HMDB0042492 942.861541391 TG(14:0/24:1(15Z)/20:1(11Z)) C61H114O6 WZCFDZGLFKVTIF-SUORVOMPSA-N +HMDB0042493 938.830241262 TG(14:0/24:1(15Z)/20:3(5Z,8Z,11Z)) C61H110O6 OWCXZEZUQYFXCK-XAHVMPOMSA-N +HMDB0042494 970.89284152 TG(14:0/24:1(15Z)/22:1(13Z)) C63H118O6 UISYJGKZKOFBCP-RFEPONRGSA-N +HMDB0042498 940.845891326 TG(14:0/24:1(15Z)/20:2n6) C61H112O6 CCKLWBNVDVDCFO-DMEANTDCSA-N +HMDB0042499 938.830241262 TG(14:0/24:1(15Z)/20:3n6) C61H110O6 IGCRUOUEUMSKRE-IVOQZZDCSA-N +HMDB0042501 968.877191455 TG(14:0/24:1(15Z)/22:2(13Z,16Z)) C63H116O6 GKMLPMONLVGROY-SOBCOFBWSA-N +HMDB0042502 964.845891326 TG(14:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z)) C63H112O6 HVJIYFSRIYNDPL-ASSRZALHSA-N +HMDB0042503 962.830241262 TG(14:0/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H110O6 SFMSLZCWXHIABM-JXIULSMESA-N +HMDB0042508 962.830241262 TG(14:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H110O6 FHNSFDXXUNMFHU-YRXPRKIZSA-N +HMDB0042510 902.866626771 TG(14:0/24:1(15Z)/o-18:0) C59H114O5 SXPXBKWZYGAMMR-LDEKSDTBSA-N +HMDB0042517 914.830241262 TG(14:0/18:2(9Z,12Z)/24:0) C59H110O6 AYBGGTUWOJKGTF-VGDHFZSHSA-N +HMDB0042522 856.75199094 TG(14:0/18:2(9Z,12Z)/20:1(11Z)) C55H100O6 DQXQIWIQYYEGLG-GZAUDGQBSA-N +HMDB0042523 852.720690811 TG(14:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z)) C55H96O6 GZLQQXVVOPFZRE-BHOUWSDHSA-N +HMDB0042524 884.783291069 TG(14:0/18:2(9Z,12Z)/22:1(13Z)) C57H104O6 FUSQLYSSJGPWCI-HSDDVKJASA-N +HMDB0042529 852.720690811 TG(14:0/18:2(9Z,12Z)/20:3n6) C55H96O6 KRVDGBILMBJWGW-QEPIHLJKSA-N +HMDB0042531 882.767641004 TG(14:0/18:2(9Z,12Z)/22:2(13Z,16Z)) C57H102O6 PZHUYFBIXNXBLU-WTNQUSKBSA-N +HMDB0042545 856.75199094 TG(14:0/18:3(6Z,9Z,12Z)/20:0) C55H100O6 XOUODEXYIDULFE-IFLWFWKYSA-N +HMDB0042546 884.783291069 TG(14:0/18:3(6Z,9Z,12Z)/22:0) C57H104O6 IBKTWXVFMTZJMM-VYLKNDNKSA-N +HMDB0042554 882.767641004 TG(14:0/18:3(6Z,9Z,12Z)/22:1(13Z)) C57H102O6 MAFFVOBYYPRXHD-AHAOIXASSA-N +HMDB0042558 852.720690811 TG(14:0/18:3(6Z,9Z,12Z)/20:2n6) C55H96O6 QQZZZCIYMICCKG-GHRAELQXSA-N +HMDB0042561 880.75199094 TG(14:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z)) C57H100O6 NQDCMWMLFSAQCX-XDDMZIJKSA-N +HMDB0042576 914.830241262 TG(14:0/20:2n6/22:0) C59H110O6 NKYCZRRSXYVTLB-KIMIJDTCSA-N +HMDB0042577 942.861541391 TG(14:0/20:2n6/24:0) C61H114O6 AREMZVRDXOGTHG-GEHBLPSASA-N +HMDB0042580 856.75199094 TG(14:0/20:2n6/18:1(11Z)) C55H100O6 DZMOOAMBHOJSHY-RFTPNAAMSA-N +HMDB0042581 856.75199094 TG(14:0/20:2n6/18:1(9Z)) C55H100O6 CJNBEPRDDYRSPK-LOUZIDRQSA-N +HMDB0042582 884.783291069 TG(14:0/20:2n6/20:1(11Z)) C57H104O6 IONCGPWOGZERQG-KKCCIVBRSA-N +HMDB0042583 880.75199094 TG(14:0/20:2n6/20:3(5Z,8Z,11Z)) C57H100O6 RNHDCKNXDJJGEF-KYBZSASRSA-N +HMDB0042585 940.845891326 TG(14:0/20:2n6/24:1(15Z)) C61H112O6 LTDLQTORSCMBOQ-DMEANTDCSA-N +HMDB0042587 852.720690811 TG(14:0/20:2n6/18:3(6Z,9Z,12Z)) C55H96O6 OPTZHODNQOBXMO-XAWCRNHYSA-N +HMDB0042588 882.767641004 TG(14:0/20:2n6/20:2n6) C57H102O6 NEUKLKKOFRWHDB-AUCIZUAGSA-N +HMDB0042589 880.75199094 TG(14:0/20:2n6/20:3n6) C57H100O6 PCGADUJICVENFJ-GRKAFUCNSA-N +HMDB0042594 852.720690811 TG(14:0/20:2n6/18:3(9Z,12Z,15Z)) C55H96O6 PDJONFLBKPVTAF-HHYLQHKESA-N +HMDB0042604 856.75199094 TG(14:0/20:3n6/18:0) C55H100O6 MFFDRCAJUNCFIE-XWDYBTQUSA-N +HMDB0042605 884.783291069 TG(14:0/20:3n6/20:0) C57H104O6 DCAWTWWNADPCKX-XVZWXZDOSA-N +HMDB0042607 940.845891326 TG(14:0/20:3n6/24:0) C61H112O6 ZTYPYYDVEYQFSE-QOADHXRNSA-N +HMDB0042612 882.767641004 TG(14:0/20:3n6/20:1(11Z)) C57H102O6 AWANUXSOQBARQI-RPMBQYMOSA-N +HMDB0042615 938.830241262 TG(14:0/20:3n6/24:1(15Z)) C61H110O6 BVDHVRNSAXAACC-ZSGAXPKRSA-N +HMDB0042616 852.720690811 TG(14:0/20:3n6/18:2(9Z,12Z)) C55H96O6 PBZUQKBKTBJPQG-BLIQHNSJSA-N +HMDB0042618 880.75199094 TG(14:0/20:3n6/20:2n6) C57H100O6 YVGVIKRPSGNSQN-PLSBWLDXSA-N +HMDB0042629 900.720690811 TG(14:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C59H96O6 ZXPNAJYOBOKITK-QWLDCRFNSA-N +HMDB0042630 842.772726384 TG(14:0/20:3n6/o-18:0) C55H102O5 UUHNNGQNNNMIKK-FQZFNFCTSA-N +HMDB0042635 882.767641004 TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:0) C57H102O6 JSJXBHBZMVKITQ-TXYGIHTPSA-N +HMDB0042637 938.830241262 TG(14:0/20:4(5Z,8Z,11Z,14Z)/24:0) C61H110O6 AFUMMTADLJXJHO-QPAAUHPVSA-N +HMDB0042640 852.720690811 TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)) C55H96O6 ZFYKFVATZUURMJ-JWUGRJQSSA-N +HMDB0042641 852.720690811 TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) C55H96O6 JLBLEJPPNIHTIQ-JFVSOPFQSA-N +HMDB0042642 880.75199094 TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z)) C57H100O6 VCJBIPBUZKHEIQ-ZDCRMNHRSA-N +HMDB0042653 900.720690811 TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C59H96O6 LXHLNESXEDBVQR-UIJKYENNSA-N +HMDB0042658 900.720690811 TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C59H96O6 QKKDPSPGKMHBNY-UHONFDOHSA-N +HMDB0042665 914.830241262 TG(14:0/22:2(13Z,16Z)/20:0) C59H110O6 HSISMYYRVVPXKG-KNAYTQRDSA-N +HMDB0042666 942.861541391 TG(14:0/22:2(13Z,16Z)/22:0) C61H114O6 NTSBQBZSOJXXMZ-GEHBLPSASA-N +HMDB0042667 970.89284152 TG(14:0/22:2(13Z,16Z)/24:0) C63H118O6 NUEDPKJRKOIZSG-PUAIEPDKSA-N +HMDB0042669 856.75199094 TG(14:0/22:2(13Z,16Z)/16:1(9Z)) C55H100O6 LUCYHIOFVUWJDD-QPRILOHKSA-N +HMDB0042670 884.783291069 TG(14:0/22:2(13Z,16Z)/18:1(11Z)) C57H104O6 KRNGXZWFBACZCQ-CGBZTZCNSA-N +HMDB0042671 884.783291069 TG(14:0/22:2(13Z,16Z)/18:1(9Z)) C57H104O6 JCFQRCZDNUSJCL-AILSCRDTSA-N +HMDB0042674 940.845891326 TG(14:0/22:2(13Z,16Z)/22:1(13Z)) C61H112O6 AHYJLIXVIKISHC-DMEANTDCSA-N +HMDB0042675 968.877191455 TG(14:0/22:2(13Z,16Z)/24:1(15Z)) C63H116O6 JWNQPWOMEKFYMA-SOBCOFBWSA-N +HMDB0042676 882.767641004 TG(14:0/22:2(13Z,16Z)/18:2(9Z,12Z)) C57H102O6 BLNIBJNSVRHQPM-WTNQUSKBSA-N +HMDB0042677 880.75199094 TG(14:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z)) C57H100O6 UOMPQWRFJUXCEB-CEOLQBJHSA-N +HMDB0042681 938.830241262 TG(14:0/22:2(13Z,16Z)/22:2(13Z,16Z)) C61H110O6 CVSGTFIHUMEUGC-LCJHGLGJSA-N +HMDB0042684 880.75199094 TG(14:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z)) C57H100O6 HFEXMJFDPVATAO-WICJBSEGSA-N +HMDB0042694 882.767641004 TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:0) C57H102O6 XIEUJHVLPZAHHA-ZSPFYABHSA-N +HMDB0042696 938.830241262 TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:0) C61H110O6 FCDMPASDBFINOG-DCQMPBFPSA-N +HMDB0042697 966.861541391 TG(14:0/22:4(7Z,10Z,13Z,16Z)/24:0) C63H114O6 MIRRUHDLDQABSJ-VYRAXEJDSA-N +HMDB0042699 852.720690811 TG(14:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z)) C55H96O6 POWNQYNUJQKIJN-MUYBOSFNSA-N +HMDB0042700 880.75199094 TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z)) C57H100O6 LTKZJLJRCVCLBH-WFLHAWLWSA-N +HMDB0042701 880.75199094 TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z)) C57H100O6 VIYIIFOXWFOBDE-BVQXJMJWSA-N +HMDB0042705 964.845891326 TG(14:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z)) C63H112O6 KKWGNAXIJLGZIW-BKULRGTISA-N +HMDB0042717 900.720690811 TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C59H96O6 HYDJVFGMENBDEL-OULLBYPESA-N +HMDB0042720 868.788376449 TG(14:0/22:4(7Z,10Z,13Z,16Z)/o-18:0) C57H104O5 VDEFXUQSUBAFFB-KJBXMZTMSA-N +HMDB0042723 852.720690811 TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0) C55H96O6 QPPIYNYVDUYVQL-NYCWUFLLSA-N +HMDB0042724 880.75199094 TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0) C57H100O6 GZIFFSTVTIRNHB-BUVYJIJBSA-N +HMDB0042727 964.845891326 TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0) C63H112O6 NKIGKQWLBIPYDK-VQLANULESA-N +HMDB0042735 962.830241262 TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)) C63H110O6 DJOOHJRCQZSQJS-XWAQJDDJSA-N +HMDB0042740 900.720690811 TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C59H96O6 GPYCLFQJCGOBIU-FIDVBXBDSA-N +HMDB0042746 900.720690811 TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C59H96O6 VGXAVCFJDOECRR-ZNJYRVKISA-N +HMDB0042749 924.720690811 TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H96O6 ISVYJGODJAFSSA-IPVSRADUSA-N +HMDB0042750 866.772726384 TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0) C57H102O5 AXWUDJVLHVBXKA-FLQSDFAPSA-N +HMDB0042755 856.75199094 TG(14:0/18:3(9Z,12Z,15Z)/20:0) C55H100O6 VHWNCJQPNDUBCY-JHHRBSFXSA-N +HMDB0042756 884.783291069 TG(14:0/18:3(9Z,12Z,15Z)/22:0) C57H104O6 PZGMSWKRVOYKSW-SKOKRVOXSA-N +HMDB0042764 882.767641004 TG(14:0/18:3(9Z,12Z,15Z)/22:1(13Z)) C57H102O6 OXALJAMNRIYLJO-IXGFBZFASA-N +HMDB0042768 852.720690811 TG(14:0/18:3(9Z,12Z,15Z)/20:2n6) C55H96O6 WGTADRBQBBKAGF-HHYLQHKESA-N +HMDB0042771 880.75199094 TG(14:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z)) C57H100O6 VMUGUHJRAOSIMU-WICJBSEGSA-N +HMDB0042786 882.767641004 TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:0) C57H102O6 ADDMBQHEJRQEPO-XJAZUKOCSA-N +HMDB0042792 852.720690811 TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z)) C55H96O6 HCFBZCCMOSAJDD-DFAZIVKCSA-N +HMDB0042794 880.75199094 TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z)) C57H100O6 XDAZZLONPIHPNZ-AIFIXOPWSA-N +HMDB0042815 882.767641004 TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:0) C57H102O6 KXZVZPPTASOQMG-DRYBMPILSA-N +HMDB0042817 938.830241262 TG(14:0/20:4(8Z,11Z,14Z,17Z)/24:0) C61H110O6 JXLIWOMLOAXJKY-LCFREUINSA-N +HMDB0042820 852.720690811 TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z)) C55H96O6 SPKQDEVVANGEJY-BNDMSUNUSA-N +HMDB0042821 852.720690811 TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z)) C55H96O6 AQOIZNNITCNBQE-DBTYPVFMSA-N +HMDB0042822 880.75199094 TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z)) C57H100O6 KHMBATLVCVBMAU-KEFKMZDZSA-N +HMDB0042833 900.720690811 TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C59H96O6 OIAXGMPMFLBWEB-JRLXNBGBSA-N +HMDB0042838 900.720690811 TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C59H96O6 GQNNXOVIYAQPRC-YXDIGCQTSA-N +HMDB0042844 852.720690811 TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:0) C55H96O6 RKFWDJFGPBNCBJ-WPRFDENESA-N +HMDB0042845 880.75199094 TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0) C57H100O6 GBJTZFHEXHJBKU-SDWVEHCDSA-N +HMDB0042862 900.720690811 TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C59H96O6 RLKDRDNYMSMXGL-JICBQYMXSA-N +HMDB0042870 838.741426256 TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0) C55H98O5 CTBYABNARYJUOG-PXJWLBIOSA-N +HMDB0042873 852.720690811 TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0) C55H96O6 XDVVZXAIBRKPCM-FVSUUZJRSA-N +HMDB0042874 880.75199094 TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0) C57H100O6 VTZCRGVLPMDWGI-SIQVBALXSA-N +HMDB0042877 964.845891326 TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0) C63H112O6 UAZSECASKQJKIA-XUBMUDRRSA-N +HMDB0042885 962.830241262 TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) C63H110O6 MFBJAFVRSRFNBT-LQBAZZTJSA-N +HMDB0042890 900.720690811 TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C59H96O6 ADFSEZIUBMYLQX-ZSEFFTMLSA-N +HMDB0042896 900.720690811 TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C59H96O6 GJQHRPDIWSJRQK-BRSLTISYSA-N +HMDB0042899 924.720690811 TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H96O6 KRMCNOVCWGWYHP-CMNCQYTJSA-N +HMDB0042900 866.772726384 TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0) C57H102O5 YGLHPJUQMNWNAS-KDOAUKQCSA-N +HMDB0042907 962.830241262 TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0) C63H110O6 ZFXPLVLFBHYGSN-SENYAZDGSA-N +HMDB0042913 900.720690811 TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)) C59H96O6 ZYWNYYJHZYDVCC-SRDKIHLBSA-N +HMDB0042919 900.720690811 TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6) C59H96O6 KZROWLZDIGBBIN-PEFZUGBZSA-N +HMDB0042923 924.720690811 TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C61H96O6 NBPKLINXFYFXMU-GILQWAALSA-N +HMDB0042928 924.720690811 TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C61H96O6 NTYQJMMREGDBBU-GJFINYDISA-N +HMDB0042943 842.772726384 TG(14:0/o-18:0/20:3(5Z,8Z,11Z)) C55H102O5 VMJJCASFGIUXQS-CNSUNOORSA-N +HMDB0042944 874.835326642 TG(14:0/o-18:0/22:1(13Z)) C57H110O5 AIBSNIRRVBNNBP-OONHBSBMSA-N +HMDB0042945 902.866626771 TG(14:0/o-18:0/24:1(15Z)) C59H114O5 OHGQZSIZFJHEIP-YONWZPPLSA-N +HMDB0042949 842.772726384 TG(14:0/o-18:0/20:3n6) C55H102O5 STLRCTZSDOQPTC-IHRSHADNSA-N +HMDB0042952 868.788376449 TG(14:0/o-18:0/22:4(7Z,10Z,13Z,16Z)) C57H104O5 FVACYRCSAZRBJC-FOUBHQQHSA-N +HMDB0042953 866.772726384 TG(14:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C57H102O5 DHPCZZMWIIRYJJ-JZMVMTFHSA-N +HMDB0042957 838.741426256 TG(14:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C55H98O5 TZXMSONPXDUMEW-IYIGBQIMSA-N +HMDB0042958 866.772726384 TG(14:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C57H102O5 ZAMYFQHKFGFWHM-PWMOXTNPSA-N +HMDB0042960 750.673740612 TG(15:0/14:0/15:0) C47H90O6 MLEFRDDBNGCWLN-UHFFFAOYSA-N +HMDB0043002 888.814591198 TG(15:0/15:0/24:1(15Z)) C57H108O6 SSIXVUQNKRINJM-ZKWOCSCSSA-N +HMDB0043010 852.720690811 TG(15:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z)) C55H96O6 ODOZWZDIECCVSB-FOMYDZIHSA-N +HMDB0043015 852.720690811 TG(15:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z)) C55H96O6 CKJFKCABBRYLMR-ZDKRBGOHSA-N +HMDB0043029 842.736340876 TG(15:0/16:0/20:3(5Z,8Z,11Z)) C54H98O6 PZPSHGGBTBOCBZ-ASYLUKSTSA-N +HMDB0043035 842.736340876 TG(15:0/16:0/20:3n6) C54H98O6 NVBSJAZGISYRIW-GGVKXYRHSA-N +HMDB0043062 842.736340876 TG(15:0/18:0/18:3(6Z,9Z,12Z)) C54H98O6 OGNCECWXMXWFGY-HXWQFKQRSA-N +HMDB0043067 896.783291069 TG(15:0/18:0/22:4(7Z,10Z,13Z,16Z)) C58H104O6 ALOIXMAWZZBRNQ-OTCXAJMESA-N +HMDB0043087 898.798941133 TG(15:0/20:0/20:3(5Z,8Z,11Z)) C58H106O6 FFJZQCAVRAQRGO-DMRFSXROSA-N +HMDB0043093 898.798941133 TG(15:0/20:0/20:3n6) C58H106O6 RSUWZDOHFVTWQP-JMKWLBHTSA-N +HMDB0043094 896.783291069 TG(15:0/20:0/20:4(5Z,8Z,11Z,14Z)) C58H104O6 IMBBOIUUCCVERC-AIOXISEISA-N +HMDB0043100 896.783291069 TG(15:0/20:0/20:4(8Z,11Z,14Z,17Z)) C58H104O6 HGQVGVFOEAHXRO-CNNZGPJESA-N +HMDB0043120 898.798941133 TG(15:0/22:0/18:3(6Z,9Z,12Z)) C58H106O6 IDANUBRXZAZNTQ-UNDCHBHASA-N +HMDB0043127 898.798941133 TG(15:0/22:0/18:3(9Z,12Z,15Z)) C58H106O6 GNXLOCJIEADZDN-UJKDMMPKSA-N +HMDB0043128 896.783291069 TG(15:0/22:0/18:4(6Z,9Z,12Z,15Z)) C58H104O6 USVBQBCNNHETJO-DYBPWUJNSA-N +HMDB0043182 842.736340876 TG(15:0/14:1(9Z)/22:2(13Z,16Z)) C54H98O6 IMVXYPBBFJIVGK-OCCKZLQQSA-N +HMDB0043208 842.736340876 TG(15:0/16:1(9Z)/20:2n6) C54H98O6 NAFMESDUMVNTKX-QJWNQIOASA-N +HMDB0043235 842.736340876 TG(15:0/18:1(11Z)/18:2(9Z,12Z)) C54H98O6 MODDNOQSVMCAIA-GRBBWMSOSA-N +HMDB0043240 898.798941133 TG(15:0/18:1(11Z)/22:2(13Z,16Z)) C58H106O6 PGPUQOBIJOUZAP-HNBAGWGBSA-N +HMDB0043269 898.798941133 TG(15:0/18:1(9Z)/22:2(13Z,16Z)) C58H106O6 SIDLIHCVDJIGBO-WEYDMKCFSA-N +HMDB0043290 896.783291069 TG(15:0/20:1(11Z)/20:3(5Z,8Z,11Z)) C58H104O6 JKFBAJJRYUESID-PZXKTUKHSA-N +HMDB0043295 898.798941133 TG(15:0/20:1(11Z)/20:2n6) C58H106O6 HJFZDYGJDQBLQJ-DBVOMTASSA-N +HMDB0043296 896.783291069 TG(15:0/20:1(11Z)/20:3n6) C58H104O6 QFFKKKUOMXZADH-FSRIMQAUSA-N +HMDB0043309 842.736340876 TG(15:0/20:3(5Z,8Z,11Z)/16:0) C54H98O6 HVMWRSISSYXDSD-MSKBUFCZSA-N +HMDB0043311 898.798941133 TG(15:0/20:3(5Z,8Z,11Z)/20:0) C58H106O6 IHOAMWFZSKNMBJ-YBNKKXLHSA-N +HMDB0043318 896.783291069 TG(15:0/20:3(5Z,8Z,11Z)/20:1(11Z)) C58H104O6 QNFJULRDTQNJGZ-LSMKTWFLSA-N +HMDB0043351 898.798941133 TG(15:0/22:1(13Z)/18:2(9Z,12Z)) C58H106O6 BVUKOOZQIGAWRK-HRIHOIJHSA-N +HMDB0043352 896.783291069 TG(15:0/22:1(13Z)/18:3(6Z,9Z,12Z)) C58H104O6 ZSTISJVJCWGTAZ-ONBIOLBISA-N +HMDB0043359 896.783291069 TG(15:0/22:1(13Z)/18:3(9Z,12Z,15Z)) C58H104O6 UPJQJJOQKCRAID-QIVDIYIPSA-N +HMDB0043366 888.814591188 TG(15:0/24:1(15Z)/15:0) C57H108O6 VSGBEUWASJCUJL-QPLCGJKRSA-N +HMDB0043403 842.736340876 TG(15:0/18:2(9Z,12Z)/18:1(11Z)) C54H98O6 FOTJQCORLIFPLC-GWRXFGGSSA-N +HMDB0043404 842.736340876 TG(15:0/18:2(9Z,12Z)/18:1(9Z)) C54H98O6 QZSQJRGOJCTPHI-SEKHEXFTSA-N +HMDB0043407 898.798941133 TG(15:0/18:2(9Z,12Z)/22:1(13Z)) C58H106O6 WUDWGAJJZFZCER-HRIHOIJHSA-N +HMDB0043414 896.783291069 TG(15:0/18:2(9Z,12Z)/22:2(13Z,16Z)) C58H104O6 MAWNXWUEDRYQEG-WFWVJCKJSA-N +HMDB0043426 842.736340876 TG(15:0/18:3(6Z,9Z,12Z)/18:0) C54H98O6 LBTCQHAIXPLSSD-KTSZMYSWSA-N +HMDB0043428 898.798941133 TG(15:0/18:3(6Z,9Z,12Z)/22:0) C58H106O6 UYEQRCSOCOOKBP-SNGDCZRFSA-N +HMDB0043436 896.783291069 TG(15:0/18:3(6Z,9Z,12Z)/22:1(13Z)) C58H104O6 ZURRHBGBXGLPHI-YQDWTBABSA-N +HMDB0043452 828.75707632 TG(15:0/18:3(6Z,9Z,12Z)/o-18:0) C54H100O5 YJVSUEAKVIVQIZ-ZSZRDWCUSA-N +HMDB0043460 842.736340876 TG(15:0/20:2n6/16:1(9Z)) C54H98O6 CDADMZPLSYSPIH-QJWNQIOASA-N +HMDB0043463 898.798941133 TG(15:0/20:2n6/20:1(11Z)) C58H106O6 RTBRCTDGSUJPRS-WMNZISQMSA-N +HMDB0043469 896.783291069 TG(15:0/20:2n6/20:2n6) C58H104O6 CTYKAHIYZXXTIN-GTFPHAHYSA-N +HMDB0043483 842.736340876 TG(15:0/20:3n6/16:0) C54H98O6 KFJPYNZNXSQRNB-GGVKXYRHSA-N +HMDB0043485 898.798941133 TG(15:0/20:3n6/20:0) C58H106O6 WTMANSPIMTYBGE-ZPCFJENCSA-N +HMDB0043492 896.783291069 TG(15:0/20:3n6/20:1(11Z)) C58H104O6 ZFYAXBKPUHHCJZ-XNUJDKPWSA-N +HMDB0043514 896.783291069 TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:0) C58H104O6 NCHFLBDZSDCXDQ-COKIJVKSSA-N +HMDB0043546 842.736340876 TG(15:0/22:2(13Z,16Z)/14:1(9Z)) C54H98O6 PBXBPMVNZAGNPS-JDYDOGLSSA-N +HMDB0043548 898.798941133 TG(15:0/22:2(13Z,16Z)/18:1(11Z)) C58H106O6 JCXAOTNONHNUHF-HNBAGWGBSA-N +HMDB0043549 898.798941133 TG(15:0/22:2(13Z,16Z)/18:1(9Z)) C58H106O6 UJQAYELTSBRSML-WEYDMKCFSA-N +HMDB0043554 896.783291069 TG(15:0/22:2(13Z,16Z)/18:2(9Z,12Z)) C58H104O6 AJCVSKDDEKJMGM-WFWVJCKJSA-N +HMDB0043571 896.783291069 TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:0) C58H104O6 TVOKYELEYWPQHJ-LMZBEZNESA-N +HMDB0043597 882.804026513 TG(15:0/22:4(7Z,10Z,13Z,16Z)/o-18:0) C58H106O5 IEYUWTSKPUBHDM-VCYUSANISA-N +HMDB0043598 852.720690804 TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/15:0) C55H96O6 IQSXRIYKFXKPPU-JOUZTBHRSA-N +HMDB0043629 842.736340876 TG(15:0/18:3(9Z,12Z,15Z)/18:0) C54H98O6 DCEIEGPNDFHINJ-VKXHGUFGSA-N +HMDB0043631 898.798941133 TG(15:0/18:3(9Z,12Z,15Z)/22:0) C58H106O6 RFTLYHXOQWFSCO-UJKDMMPKSA-N +HMDB0043639 896.783291069 TG(15:0/18:3(9Z,12Z,15Z)/22:1(13Z)) C58H104O6 ZOBZWCYJZUYEQA-QIVDIYIPSA-N +HMDB0043655 828.75707632 TG(15:0/18:3(9Z,12Z,15Z)/o-18:0) C54H100O5 BWUZGPYYZXQIFD-XKCLUBGVSA-N +HMDB0043660 896.783291069 TG(15:0/18:4(6Z,9Z,12Z,15Z)/22:0) C58H104O6 LYNIUWOJUCUGNH-QOBGEQKFSA-N +HMDB0043688 896.783291069 TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:0) C58H104O6 KEFNWJKPJBZOJN-MKYMQNDHSA-N +HMDB0043743 852.720690804 TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/15:0) C55H96O6 CYCUFSFDDJJTHB-WRNPFNQTSA-N +HMDB0043816 828.75707632 TG(15:0/o-18:0/18:3(6Z,9Z,12Z)) C54H100O5 POAVLZRSJOCQEL-MNYDZQCVSA-N +HMDB0043821 882.804026513 TG(15:0/o-18:0/22:4(7Z,10Z,13Z,16Z)) C58H106O5 OHNOJBCXHSIKCO-CXFUULEXSA-N +HMDB0043823 828.75707632 TG(15:0/o-18:0/18:3(9Z,12Z,15Z)) C54H100O5 CABYGZXBJNUBCV-MRNHURRUSA-N +HMDB0043841 888.814591198 TG(16:0/14:0/24:1(15Z)) C57H108O6 DVRLSVCQXWGXCP-KAESFFBXSA-N +HMDB0043849 852.720690811 TG(16:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z)) C55H96O6 YLDIXESVFMDKJA-YOSTYZLGSA-N +HMDB0043854 852.720690811 TG(16:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z)) C55H96O6 DHISSBAEVLDFEV-FVSUUZJRSA-N +HMDB0043867 842.736340876 TG(16:0/15:0/20:3(5Z,8Z,11Z)) C54H98O6 VYWMIHTWENZSSH-ASYLUKSTSA-N +HMDB0043873 842.736340876 TG(16:0/15:0/20:3n6) C54H98O6 HZWGBWWUMHOOAG-GGVKXYRHSA-N +HMDB0043895 856.75199094 TG(16:0/16:0/20:3(5Z,8Z,11Z)) C55H100O6 YQQLYNBUCCDBQS-CKBMRXNMSA-N +HMDB0043896 888.814591198 TG(16:0/16:0/22:1(13Z)) C57H108O6 FLALCZKVXJDYDG-ZKWOCSCSSA-N +HMDB0043897 916.845891326 TG(16:0/16:0/24:1(15Z)) C59H112O6 LRTMQTBQQUGLKW-DOVQLJDSSA-N +HMDB0043901 856.75199094 TG(16:0/16:0/20:3n6) C55H100O6 QREQPUUUIPJTAA-DLBIATTASA-N +HMDB0043904 882.767641004 TG(16:0/16:0/22:4(7Z,10Z,13Z,16Z)) C57H102O6 MZUGAQXXWDXZIR-OJYXNCBMSA-N +HMDB0043905 880.75199094 TG(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C57H100O6 YGANYFGQLLNHPX-IMJOLEMVSA-N +HMDB0043909 852.720690811 TG(16:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z)) C55H96O6 MKRZSXAKFYWUAW-HWCRKSJOSA-N +HMDB0043910 880.75199094 TG(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C57H100O6 JKYPCWURBUPJMX-FXKNXVKBSA-N +HMDB0043920 860.783291069 TG(16:0/18:0/18:1(11Z)) C55H104O6 RBJMAKBTUZSIDN-QCSIWSIHSA-N +HMDB0043923 884.783291069 TG(16:0/18:0/20:3(5Z,8Z,11Z)) C57H104O6 CICXNKCKBFXJSH-LZWIKYMTSA-N +HMDB0043924 916.845891326 TG(16:0/18:0/22:1(13Z)) C59H112O6 KJQOITVLKVGNFB-WOGGMIHASA-N +HMDB0043927 856.75199094 TG(16:0/18:0/18:3(6Z,9Z,12Z)) C55H100O6 SHZPWJWHCSZOEX-IKMPBALGSA-N +HMDB0043929 884.783291069 TG(16:0/18:0/20:3n6) C57H104O6 FAWROKQWRPDLOA-OSWQCXTLSA-N +HMDB0043931 914.830241262 TG(16:0/18:0/22:2(13Z,16Z)) C59H110O6 XUNZJZHRHUQSIJ-AFBXCYEQSA-N +HMDB0043934 856.75199094 TG(16:0/18:0/18:3(9Z,12Z,15Z)) C55H100O6 QRLNWUKVSNTXQG-VWMLCLGZSA-N +HMDB0043936 882.767641004 TG(16:0/18:0/20:4(8Z,11Z,14Z,17Z)) C57H102O6 IJMQCAKVFHJJTI-MXMHWBLZSA-N +HMDB0043937 880.75199094 TG(16:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C57H100O6 WGKBXGXZUVULLG-VPMAWHITSA-N +HMDB0043948 888.814591198 TG(16:0/20:0/18:1(11Z)) C57H108O6 CZMAJLBPYUFDNA-AEGUMOJNSA-N +HMDB0043949 888.814591198 TG(16:0/20:0/18:1(9Z)) C57H108O6 JCVFZHFBLDWEFA-IBZYRLJDSA-N +HMDB0043953 972.908491584 TG(16:0/20:0/24:1(15Z)) C63H120O6 KXNZZVRMSWHVPA-HBFRPXMKSA-N +HMDB0043955 884.783291069 TG(16:0/20:0/18:3(6Z,9Z,12Z)) C57H104O6 BHIUUNLDJFUIJS-JWSNKXTBSA-N +HMDB0043956 914.830241262 TG(16:0/20:0/20:2n6) C59H110O6 QHMIFVZMPUXEAH-AFBXCYEQSA-N +HMDB0043959 942.861541391 TG(16:0/20:0/22:2(13Z,16Z)) C61H114O6 ZWYSQWJROGDLIY-KMHMPRQHSA-N +HMDB0043960 938.830241262 TG(16:0/20:0/22:4(7Z,10Z,13Z,16Z)) C61H110O6 LRLYDHNYCOCMPB-SWZVAHJASA-N +HMDB0043962 884.783291069 TG(16:0/20:0/18:3(9Z,12Z,15Z)) C57H104O6 XALHWTWEHSQIBY-ZBQQGBJQSA-N +HMDB0043963 882.767641004 TG(16:0/20:0/18:4(6Z,9Z,12Z,15Z)) C57H102O6 MEUNMCWGMQZVER-ODQDWSBLSA-N +HMDB0043975 888.814591198 TG(16:0/22:0/16:1(9Z)) C57H108O6 VQWFQOJRISNWCH-WTNBXCFCSA-N +HMDB0043976 916.845891326 TG(16:0/22:0/18:1(11Z)) C59H112O6 MGLUNDCYIGYIEO-SKYDHSLNSA-N +HMDB0043977 916.845891326 TG(16:0/22:0/18:1(9Z)) C59H112O6 KVLYQVRJXYJGRU-FAIRWSLRSA-N +HMDB0043979 940.845891326 TG(16:0/22:0/20:3(5Z,8Z,11Z)) C61H112O6 ZKXHCZXVCQJSLC-UGWYLRMGSA-N +HMDB0043980 972.908491584 TG(16:0/22:0/22:1(13Z)) C63H120O6 CTOZRWCYXGCCPP-HBFRPXMKSA-N +HMDB0043982 914.830241262 TG(16:0/22:0/18:2(9Z,12Z)) C59H110O6 DLHLOJATURJKGG-SQWTXUHUSA-N +HMDB0043984 942.861541391 TG(16:0/22:0/20:2n6) C61H114O6 XAOHLQFHAMQDGH-FLJSPLEDSA-N +HMDB0043985 940.845891326 TG(16:0/22:0/20:3n6) C61H112O6 FYFQGQAMTRIKHO-MAMUJQPPSA-N +HMDB0043986 938.830241262 TG(16:0/22:0/20:4(5Z,8Z,11Z,14Z)) C61H110O6 KLBXZRONSATXOR-PRBZMCLESA-N +HMDB0043987 970.89284152 TG(16:0/22:0/22:2(13Z,16Z)) C63H118O6 VBRUDSKZQDCRGT-AIPFJYIQSA-N +HMDB0043988 966.861541391 TG(16:0/22:0/22:4(7Z,10Z,13Z,16Z)) C63H114O6 RFESPFKKWBRMFJ-QMJUPJGBSA-N +HMDB0043989 964.845891326 TG(16:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H112O6 GQAUQPCQRVYUQF-BSDKHCPSSA-N +HMDB0043992 938.830241262 TG(16:0/22:0/20:4(8Z,11Z,14Z,17Z)) C61H110O6 PTUORBCKDRTJCD-QDYXNFAJSA-N +HMDB0043994 964.845891326 TG(16:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H112O6 RGTDFTBQSPVDLT-BILOXPJZSA-N +HMDB0043995 962.830241262 TG(16:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H110O6 YDUCJNVMKCLMRK-GDIYQKLGSA-N +HMDB0044002 888.814591198 TG(16:0/24:0/14:1(9Z)) C57H108O6 QSQLLDYMTXNRPS-IXHOOSMISA-N +HMDB0044003 916.845891326 TG(16:0/24:0/16:1(9Z)) C59H112O6 YCRUOZPSQCDMCU-BUKBLQRKSA-N +HMDB0044006 972.908491584 TG(16:0/24:0/20:1(11Z)) C63H120O6 MGBYDKAHDISQBC-NVOZVBLZSA-N +HMDB0044007 968.877191455 TG(16:0/24:0/20:3(5Z,8Z,11Z)) C63H116O6 GKUAJCNVJMNRAV-HPCJMVLVSA-N +HMDB0044010 942.861541391 TG(16:0/24:0/18:2(9Z,12Z)) C61H114O6 QWFBYRTVWVIXIZ-FGLIZSHHSA-N +HMDB0044011 940.845891326 TG(16:0/24:0/18:3(6Z,9Z,12Z)) C61H112O6 GIRHPCGBIJZASY-IUHWKNOBSA-N +HMDB0044012 970.89284152 TG(16:0/24:0/20:2n6) C63H118O6 OLEXXKUUZGHGOQ-KOGOAZCMSA-N +HMDB0044013 968.877191455 TG(16:0/24:0/20:3n6) C63H116O6 BDAPQXURZQCHLV-XQBYCCCTSA-N +HMDB0044014 966.861541391 TG(16:0/24:0/20:4(5Z,8Z,11Z,14Z)) C63H114O6 ZFHHHJBRXGVHEW-TUAJXNQRSA-N +HMDB0044018 940.845891326 TG(16:0/24:0/18:3(9Z,12Z,15Z)) C61H112O6 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PWAOXOJAJJJACV-MSFNIHOKSA-N +HMDB0044264 882.767641004 TG(16:0/18:2(9Z,12Z)/20:2n6) C57H102O6 BAJHYMHNWFZWKC-BIBJHKLQSA-N +HMDB0044265 880.75199094 TG(16:0/18:2(9Z,12Z)/20:3n6) C57H100O6 UWIJLBUWLZZSBQ-GTMGOGLWSA-N +HMDB0044270 852.720690811 TG(16:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) C55H96O6 MVAGPZSVOSGBMR-BZMDPMQBSA-N +HMDB0044278 856.75199094 TG(16:0/18:3(6Z,9Z,12Z)/18:0) C55H100O6 MZFQLGNBXGADLH-MLWHVYFWSA-N +HMDB0044279 884.783291069 TG(16:0/18:3(6Z,9Z,12Z)/20:0) C57H104O6 SAKURFWWZUPUGR-DVWKUQODSA-N +HMDB0044281 940.845891326 TG(16:0/18:3(6Z,9Z,12Z)/24:0) C61H112O6 GMEJJMCAXRRIOA-QQKBWDOYSA-N +HMDB0044286 882.767641004 TG(16:0/18:3(6Z,9Z,12Z)/20:1(11Z)) C57H102O6 ATZQIXHEMLCJGM-UNBNYWLFSA-N +HMDB0044289 938.830241262 TG(16:0/18:3(6Z,9Z,12Z)/24:1(15Z)) C61H110O6 QHLALDPTQOIJFG-JBSJGAQESA-N +HMDB0044290 852.720690811 TG(16:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) C55H96O6 JJNQBKOWLBHGAW-VVKFIGISSA-N +HMDB0044292 880.75199094 TG(16:0/18:3(6Z,9Z,12Z)/20:2n6) C57H100O6 OLDVVLPHLVANLD-WPBMEDNOSA-N +HMDB0044303 900.720690811 TG(16:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C59H96O6 XSSYPDIVPNHTQU-ADWBSRJNSA-N +HMDB0044304 842.772726384 TG(16:0/18:3(6Z,9Z,12Z)/o-18:0) C55H102O5 VZKXYDJCNAJPJQ-SISXPTMWSA-N +HMDB0044307 914.830241262 TG(16:0/20:2n6/20:0) C59H110O6 BMVWCBZVEZTSPY-AZGWCIJJSA-N +HMDB0044308 942.861541391 TG(16:0/20:2n6/22:0) C61H114O6 BWOWEFRYVHJNEP-FLJSPLEDSA-N +HMDB0044309 970.89284152 TG(16:0/20:2n6/24:0) C63H118O6 DWYQYYDRIUNZMR-KOGOAZCMSA-N +HMDB0044311 856.75199094 TG(16:0/20:2n6/16:1(9Z)) C55H100O6 KJRMVHBWNRWOEF-MXGVSXRBSA-N +HMDB0044312 884.783291069 TG(16:0/20:2n6/18:1(11Z)) C57H104O6 PRBCKTCEVWJEPN-VXLYYTGTSA-N +HMDB0044313 884.783291069 TG(16:0/20:2n6/18:1(9Z)) C57H104O6 VEESJNIKHNLRCH-HLYOSYIHSA-N +HMDB0044316 940.845891326 TG(16:0/20:2n6/22:1(13Z)) C61H112O6 BRHLVPHCYUHFEL-GDBNEEMHSA-N +HMDB0044317 968.877191455 TG(16:0/20:2n6/24:1(15Z)) C63H116O6 MZLDDMZGQIOQJK-CWTLSIQGSA-N +HMDB0044318 882.767641004 TG(16:0/20:2n6/18:2(9Z,12Z)) C57H102O6 SVXVJZXYYAEVSC-BIBJHKLQSA-N +HMDB0044319 880.75199094 TG(16:0/20:2n6/18:3(6Z,9Z,12Z)) C57H100O6 IBAXOOZVZZDVJC-MEZLMXAOSA-N +HMDB0044323 938.830241262 TG(16:0/20:2n6/22:2(13Z,16Z)) C61H110O6 WHIFVRILMXLGDQ-FASPCYNWSA-N +HMDB0044326 880.75199094 TG(16:0/20:2n6/18:3(9Z,12Z,15Z)) C57H100O6 MGWSKVYZBMTHNX-CGEWGDRRSA-N +HMDB0044333 856.751990932 TG(16:0/20:3n6/16:0) C55H100O6 YRHHWDQMQNTGFU-PFQVEYDSSA-N +HMDB0044334 884.783291069 TG(16:0/20:3n6/18:0) C57H104O6 DAYIBGRSBOHJLY-YQUMZMGISA-N +HMDB0044336 940.845891326 TG(16:0/20:3n6/22:0) C61H112O6 LJVYQJBNBHGZKG-YSSLWWDPSA-N +HMDB0044337 968.877191455 TG(16:0/20:3n6/24:0) C63H116O6 SYHQDCMTVVZJSW-BXROAWAISA-N +HMDB0044340 882.767641004 TG(16:0/20:3n6/18:1(11Z)) C57H102O6 TWSBBIIUNDVTNF-GGGLHGFASA-N +HMDB0044341 882.767641004 TG(16:0/20:3n6/18:1(9Z)) C57H102O6 MXWHOVSUVNCPAU-SSKDQPTCSA-N +HMDB0044344 938.830241262 TG(16:0/20:3n6/22:1(13Z)) C61H110O6 RDMSBFYFWYXPOF-IDMQOVKCSA-N +HMDB0044345 966.861541391 TG(16:0/20:3n6/24:1(15Z)) C63H114O6 LEYNPNMAFNJINO-BVLBBFAFSA-N +HMDB0044346 880.75199094 TG(16:0/20:3n6/18:2(9Z,12Z)) C57H100O6 KHJFBIFHBBUBGL-NWQIFYSBSA-N +HMDB0044360 870.804026513 TG(16:0/20:3n6/o-18:0) C57H106O5 OMLTYAGNYCAYQB-CQKBLQMKSA-N +HMDB0044362 882.767641004 TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:0) C57H102O6 WLVCRJNHNFZNFC-XDQKKNJASA-N +HMDB0044364 938.830241262 TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:0) C61H110O6 QKJRZMKAIOLLKX-ZUDYRGPQSA-N +HMDB0044365 966.861541391 TG(16:0/20:4(5Z,8Z,11Z,14Z)/24:0) C63H114O6 SCXZWEQDFMQHJA-GFSHMMQQSA-N +HMDB0044367 852.720690811 TG(16:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) C55H96O6 DUALUCVNZADEIN-ZHNSFSDQSA-N +HMDB0044368 880.75199094 TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)) C57H100O6 PJZXKSHPRSUFOM-VSFZJCRWSA-N +HMDB0044369 880.75199094 TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) C57H100O6 WPQGVSPULJCTQM-AZKUFLHISA-N +HMDB0044373 964.845891326 TG(16:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z)) C63H112O6 ULQBTSOLBSLCJS-RSWGDGPBSA-N +HMDB0044385 900.720690811 TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C59H96O6 XOJDXSDPICSSTA-FXRJZKPYSA-N +HMDB0044388 868.788376449 TG(16:0/20:4(5Z,8Z,11Z,14Z)/o-18:0) C57H104O5 SQITVZNQNGOSGD-YRYQCSKASA-N +HMDB0044390 914.830241262 TG(16:0/22:2(13Z,16Z)/18:0) C59H110O6 BHUGVTHDSSXVAN-AFBXCYEQSA-N +HMDB0044391 942.861541391 TG(16:0/22:2(13Z,16Z)/20:0) C61H114O6 UGGFEFYRAIPHJW-KMHMPRQHSA-N +HMDB0044392 970.89284152 TG(16:0/22:2(13Z,16Z)/22:0) C63H118O6 HKLUOMJYFGCDTK-KOGOAZCMSA-N +HMDB0044394 856.75199094 TG(16:0/22:2(13Z,16Z)/14:1(9Z)) C55H100O6 NPRADIIHNTWIBW-UPUDBSRISA-N +HMDB0044395 884.783291069 TG(16:0/22:2(13Z,16Z)/16:1(9Z)) C57H104O6 JZDWMRHLZXGIMN-HEQQPVHQSA-N +HMDB0044398 940.845891326 TG(16:0/22:2(13Z,16Z)/20:1(11Z)) C61H112O6 IEXFFVIGQBUXOM-GBEOITIKSA-N +HMDB0044400 968.877191455 TG(16:0/22:2(13Z,16Z)/22:1(13Z)) C63H116O6 IMIRBNJSIWDVSA-CWTLSIQGSA-N +HMDB0044404 938.830241262 TG(16:0/22:2(13Z,16Z)/20:2n6) C61H110O6 MEUWGTHLRSIXHV-FASPCYNWSA-N +HMDB0044407 966.861541391 TG(16:0/22:2(13Z,16Z)/22:2(13Z,16Z)) C63H114O6 AIJZDCRCOWFNRQ-IAWHHGFBSA-N +HMDB0044408 962.830241262 TG(16:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) C63H110O6 BTKBYBXKJGMWMW-UEJIIWSZSA-N +HMDB0044415 958.798941133 TG(16:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H106O6 SUSVIZFJFDUVRG-JDXMBPTESA-N +HMDB0044416 900.850976706 TG(16:0/22:2(13Z,16Z)/o-18:0) C59H112O5 LCHZHNOSBDOUOB-ZMJVVNHNSA-N +HMDB0044417 882.767640996 TG(16:0/22:4(7Z,10Z,13Z,16Z)/16:0) C57H102O6 OZTOROOYEIRFAB-QVVRMUBKSA-N +HMDB0044419 938.830241262 TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:0) C61H110O6 JEZIXTIQQIPJCZ-MFGXWEGQSA-N +HMDB0044420 966.861541391 TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:0) C63H114O6 HKXVFDJOYACJHJ-JEJIAOHESA-N +HMDB0044422 852.720690811 TG(16:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z)) C55H96O6 MBOXBOYLRVJTGJ-CYGPNMRKSA-N +HMDB0044423 880.75199094 TG(16:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z)) C57H100O6 PHUWKNUSDWRCGE-XZKQVEDDSA-N +HMDB0044428 964.845891326 TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z)) C63H112O6 YZYLLQDFUYUJGF-TXEBZDMKSA-N +HMDB0044435 962.830241262 TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)) C63H110O6 FHLCKJOBUHAURH-HWKOLZATSA-N +HMDB0044436 958.798941133 TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) C63H106O6 LZMYQBXIIPFGAL-TWKAUKCDSA-N +HMDB0044437 956.783291069 TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H104O6 BQPFRDZWJNSTCS-QIDBSMODSA-N +HMDB0044442 956.783291069 TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 GCOQNBYYCRADMG-MQUCBWAXSA-N +HMDB0044443 954.767641004 TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 MTPKGLNGVPLRIZ-WAISMSOESA-N +HMDB0044445 880.751990932 TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0) C57H100O6 KOKPTHNRUIPNHU-UQJJXIQNSA-N +HMDB0044448 964.845891326 TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0) C63H112O6 ZWDRUMGFLNADOE-NTONVAHKSA-N +HMDB0044456 962.830241262 TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)) C63H110O6 WGDZLZAQMLWOIG-JSCYMHSISA-N +HMDB0044464 956.783291069 TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) C63H104O6 DFOPDYSQCRFMDS-WFCJAIITSA-N +HMDB0044465 954.767641004 TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H102O6 SGSCBPFVSOCVPP-DRUNYDBDSA-N +HMDB0044467 900.720690811 TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C59H96O6 STSSOOUAZVGHGT-LCNRRWAFSA-N +HMDB0044470 954.767641004 TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 HSNGDBNPPHCXGS-MUCARDSESA-N +HMDB0044471 952.75199094 TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 NDNNXIWBJOKRCM-WVVFJPSCSA-N +HMDB0044474 856.75199094 TG(16:0/18:3(9Z,12Z,15Z)/18:0) C55H100O6 KKBIJNWSACWOQA-MRNHURRUSA-N +HMDB0044475 884.783291069 TG(16:0/18:3(9Z,12Z,15Z)/20:0) C57H104O6 QMOIIDCAFLCLKL-ZBQQGBJQSA-N +HMDB0044477 940.845891326 TG(16:0/18:3(9Z,12Z,15Z)/24:0) C61H112O6 UZJFJKLCXWYRPN-KQWNDZRGSA-N +HMDB0044482 882.767641004 TG(16:0/18:3(9Z,12Z,15Z)/20:1(11Z)) C57H102O6 PDTAQKYFJJGDCD-KKELCOOUSA-N +HMDB0044485 938.830241262 TG(16:0/18:3(9Z,12Z,15Z)/24:1(15Z)) C61H110O6 JLNYLODKIXIHKZ-KEEBEWHXSA-N +HMDB0044486 852.720690811 TG(16:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) C55H96O6 DZXZWZCELPDEAY-GYJCYCAFSA-N +HMDB0044488 880.75199094 TG(16:0/18:3(9Z,12Z,15Z)/20:2n6) C57H100O6 QUFRRPUAEDKDEW-CGEWGDRRSA-N +HMDB0044499 900.720690811 TG(16:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C59H96O6 AWKZRMLSPPFBRT-GOKSIDPXSA-N +HMDB0044500 842.772726384 TG(16:0/18:3(9Z,12Z,15Z)/o-18:0) C55H102O5 OAJGGPOBXCODBI-BBGBDTNPSA-N +HMDB0044503 882.767641004 TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:0) C57H102O6 PDFFYHNLAKMFAW-DBLJNIQDSA-N +HMDB0044505 938.830241262 TG(16:0/18:4(6Z,9Z,12Z,15Z)/24:0) C61H110O6 JRPWNZDPXIIZOM-LPKUTSTHSA-N +HMDB0044508 852.720690811 TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z)) C55H96O6 RCIYSTQFXHSCKA-MPJXLQPGSA-N +HMDB0044509 852.720690811 TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z)) C55H96O6 NGEHHICSKHOVLR-NFDSFMNFSA-N +HMDB0044510 880.75199094 TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z)) C57H100O6 VWRXQZKIYNYMGG-ZGFNYXQRSA-N +HMDB0044521 900.720690811 TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C59H96O6 ZLDJFFNRXQCWDI-NEYNGORJSA-N +HMDB0044526 900.720690811 TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C59H96O6 NPDNCNMIHPPXLG-NEWSEWFISA-N +HMDB0044530 882.767641004 TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:0) C57H102O6 OEXKOFIGSYEMIC-NRHFPUSWSA-N +HMDB0044532 938.830241262 TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:0) C61H110O6 NPGQULUAPOPHIW-OCTKYVPGSA-N +HMDB0044533 966.861541391 TG(16:0/20:4(8Z,11Z,14Z,17Z)/24:0) C63H114O6 MEUKCWGKFGAXPK-DUHQLXHESA-N +HMDB0044535 852.720690811 TG(16:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z)) C55H96O6 UVTYOGUMIJDHCL-UIMLNZSVSA-N +HMDB0044536 880.75199094 TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z)) C57H100O6 MTMROZADXJWIBV-DOECFCCQSA-N +HMDB0044537 880.75199094 TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z)) C57H100O6 NGPGSHBLLYRGNQ-MPZPZLFDSA-N +HMDB0044541 964.845891326 TG(16:0/20:4(8Z,11Z,14Z,17Z)/24:1(15Z)) C63H112O6 FYMHLHDVPWTCCO-JYFCDIOCSA-N +HMDB0044553 900.720690811 TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C59H96O6 PHOOIXVIRZQNMT-ODAQHYAVSA-N +HMDB0044556 868.788376449 TG(16:0/20:4(8Z,11Z,14Z,17Z)/o-18:0) C57H104O5 ZDQSYJNEPMDFCF-ITQLONQQSA-N +HMDB0044557 852.720690804 TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:0) C55H96O6 CCKKDORBDQDVMQ-PDZACQBISA-N +HMDB0044558 880.75199094 TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:0) C57H100O6 QGFXXHQHYVJYSH-MDZJAPHLSA-N +HMDB0044561 964.845891326 TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0) C63H112O6 XNRMSBDDILQLRG-LSKMVMMXSA-N +HMDB0044569 962.830241262 TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)) C63H110O6 OQTQYHCFGCOUPR-QBUFOSDJSA-N +HMDB0044574 900.720690811 TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) C59H96O6 ZLPGNDHRJUFQTK-YAGXGABHSA-N +HMDB0044580 900.720690811 TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C59H96O6 SHBKQHGKLWWKQN-FBVZUFOSSA-N +HMDB0044583 924.720690811 TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H96O6 UZFNMPJCAIVEGV-FUXJGXGNSA-N +HMDB0044584 866.772726384 TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0) C57H102O5 VMKQCJKDAJJLNO-SIDHVLSASA-N +HMDB0044585 880.751990932 TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0) C57H100O6 LEXKCMGVSOPGQN-VNQLBUIQSA-N +HMDB0044588 964.845891326 TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:0) C63H112O6 YQESTRXWSPZNHW-WKPJWWPASA-N +HMDB0044596 962.830241262 TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)) C63H110O6 DTGWBWNZTSFJEB-QSAUUDRYSA-N +HMDB0044604 956.783291069 TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C63H104O6 UEPGRXMBZHCOGK-NSRUUUQVSA-N +HMDB0044605 954.767641004 TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H102O6 SJRLCZGQDXBYGK-HKWNKZEVSA-N +HMDB0044607 900.720690811 TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C59H96O6 VVTVYFURJIUZNX-IZEDADKKSA-N +HMDB0044610 954.767641004 TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 XMRBIWWWAIEADV-MIDLRVRISA-N +HMDB0044611 952.75199094 TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 QVOHTEKWCOOZBV-FIJPMMNYSA-N +HMDB0044616 962.830241262 TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0) C63H110O6 PTSDZIVZWSSOQV-PYNBEOIPSA-N +HMDB0044627 900.720690811 TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) C59H96O6 IXNKUAVBSAJEIR-MCQMTRFLSA-N +HMDB0044631 958.798941133 TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)) C63H106O6 RKCXETNTKLONSQ-MAIVSZGYSA-N +HMDB0044632 954.767641004 TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C63H102O6 BKNNALCUTFKXQS-PGTFXPQGSA-N +HMDB0044633 952.75199094 TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H100O6 LSBAYMYULGHGQO-YFBBKOKWSA-N +HMDB0044634 900.720690811 TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C59H96O6 BZUMTISSRAZIGC-WUXINBHBSA-N +HMDB0044637 924.720690811 TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C61H96O6 FPEZLWDATYZAAB-IFVHAZKQSA-N +HMDB0044638 952.75199094 TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H100O6 LVRSHDOEDJOBJJ-DSSMBJFESA-N +HMDB0044648 846.804026513 TG(16:0/o-18:0/18:1(11Z)) C55H106O5 HTFZBWPHGZEFJU-SEXWVFGWSA-N +HMDB0044649 846.804026513 TG(16:0/o-18:0/18:1(9Z)) C55H106O5 JPBYHVQUOOKCGQ-ZNYBSJEJSA-N +HMDB0044650 874.835326642 TG(16:0/o-18:0/20:1(11Z)) C57H110O5 XTQUNVXMTVIEJG-AFHCKBSLSA-N +HMDB0044651 870.804026513 TG(16:0/o-18:0/20:3(5Z,8Z,11Z)) C57H106O5 LLMPANOXXMGKRF-XLRYZWMHSA-N +HMDB0044652 902.866626771 TG(16:0/o-18:0/22:1(13Z)) C59H114O5 SXBWOXCOXHTAAM-QWQBRNDCSA-N +HMDB0044655 842.772726384 TG(16:0/o-18:0/18:3(6Z,9Z,12Z)) C55H102O5 FBJIMBUHNICHHH-SNPAGUQISA-N +HMDB0044657 870.804026513 TG(16:0/o-18:0/20:3n6) C57H106O5 QYHOZSHVNKWJLV-FOVPWYMNSA-N +HMDB0044658 868.788376449 TG(16:0/o-18:0/20:4(5Z,8Z,11Z,14Z)) C57H104O5 XGUVLROHLQCRKO-ZJVHBQSJSA-N +HMDB0044659 900.850976706 TG(16:0/o-18:0/22:2(13Z,16Z)) C59H112O5 RUVUJZWBOUFWTN-UVWMBFROSA-N +HMDB0044662 842.772726384 TG(16:0/o-18:0/18:3(9Z,12Z,15Z)) C55H102O5 IAFYDEPWYHOLIH-LEHRLSSESA-N +HMDB0044664 868.788376449 TG(16:0/o-18:0/20:4(8Z,11Z,14Z,17Z)) C57H104O5 LKASLILCGPZWOF-IITLLJDESA-N +HMDB0044665 866.772726384 TG(16:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C57H102O5 PQQIAQSGMRDMKV-JQJNNHAYSA-N +HMDB0044677 856.75199094 TG(18:0/14:0/20:3(5Z,8Z,11Z)) C55H100O6 RHVDDKIIECRCMU-DLKASECUSA-N +HMDB0044678 888.814591198 TG(18:0/14:0/22:1(13Z)) C57H108O6 CQDCLPYZVBWAGY-ULQCEOSSSA-N +HMDB0044679 916.845891326 TG(18:0/14:0/24:1(15Z)) C59H112O6 PDFSKQVPIUDFLH-LIZMGIQCSA-N +HMDB0044683 856.75199094 TG(18:0/14:0/20:3n6) C55H100O6 PODGNDQRHPDVSY-XWDYBTQUSA-N +HMDB0044686 882.767641004 TG(18:0/14:0/22:4(7Z,10Z,13Z,16Z)) C57H102O6 KMUBMOMDOAVSGD-ZSPFYABHSA-N +HMDB0044687 880.75199094 TG(18:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z)) C57H100O6 ZNJHBXLEVATVCP-LTEQPIAUSA-N +HMDB0044691 852.720690811 TG(18:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z)) C55H96O6 GGCGDJPSQJXGBG-FTQYIZGESA-N +HMDB0044692 880.75199094 TG(18:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z)) C57H100O6 ZSFGHQACWUKLCX-SIQVBALXSA-N +HMDB0044708 842.736340876 TG(18:0/15:0/18:3(6Z,9Z,12Z)) C54H98O6 SAZSVOQHSUNCSC-JADYITACSA-N +HMDB0044713 896.783291069 TG(18:0/15:0/22:4(7Z,10Z,13Z,16Z)) C58H104O6 ZMDXJSHVNGLQDM-LMZBEZNESA-N +HMDB0044715 842.736340876 TG(18:0/15:0/18:3(9Z,12Z,15Z)) C54H98O6 XBEBXEQYPIBWCY-ZCTUBHHNSA-N +HMDB0044730 888.814591198 TG(18:0/16:0/20:1(11Z)) C57H108O6 ZKAJTUDTPFXDPB-SEDDCBKKSA-N +HMDB0044731 884.783291069 TG(18:0/16:0/20:3(5Z,8Z,11Z)) C57H104O6 MIAZWSJURHHRMR-GEHCCJHRSA-N +HMDB0044732 916.845891326 TG(18:0/16:0/22:1(13Z)) C59H112O6 AFMQYZXPYJFAPA-WOGGMIHASA-N +HMDB0044735 856.75199094 TG(18:0/16:0/18:3(6Z,9Z,12Z)) C55H100O6 HFPMGYAXBUYRKI-UEZFUHSISA-N +HMDB0044737 884.783291069 TG(18:0/16:0/20:3n6) C57H104O6 JKGVPFAPBARTLP-YQUMZMGISA-N +HMDB0044738 882.767641004 TG(18:0/16:0/20:4(5Z,8Z,11Z,14Z)) C57H102O6 PJEBJEMINBSXRV-KEUVTSRESA-N +HMDB0044739 914.830241262 TG(18:0/16:0/22:2(13Z,16Z)) C59H110O6 YCBZYOWJNQIJSW-AFBXCYEQSA-N +HMDB0044744 882.767641004 TG(18:0/16:0/20:4(8Z,11Z,14Z,17Z)) C57H102O6 PTRBUWWBGNLWCI-NRHFPUSWSA-N +HMDB0044745 880.75199094 TG(18:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z)) C57H100O6 JVXNBCRQHASIJK-SLVIZCAPSA-N +HMDB0044760 972.908491584 TG(18:0/18:0/24:1(15Z)) C63H120O6 RMGUQZSFJCIQCW-HZLQDPIMSA-N +HMDB0044762 884.783291069 TG(18:0/18:0/18:3(6Z,9Z,12Z)) C57H104O6 KQKXUUFGXDXTLP-QOHXHYQGSA-N +HMDB0044763 914.830241262 TG(18:0/18:0/20:2n6) C59H110O6 VJGBLJQPGREUIJ-HTEIQMDFSA-N +HMDB0044766 942.861541391 TG(18:0/18:0/22:2(13Z,16Z)) C61H114O6 KJRBHONTDZUSAV-UAHPIIFWSA-N +HMDB0044767 938.830241262 TG(18:0/18:0/22:4(7Z,10Z,13Z,16Z)) C61H110O6 AHTWTNHQUCGAHA-PPSYREMASA-N +HMDB0044769 884.783291069 TG(18:0/18:0/18:3(9Z,12Z,15Z)) C57H104O6 UFGXGACWXCNPJD-DYJODZIASA-N +HMDB0044770 882.767641004 TG(18:0/18:0/18:4(6Z,9Z,12Z,15Z)) C57H102O6 QDQDETHJEUGTEX-DBKGETMJSA-N +HMDB0044781 888.814591198 TG(18:0/20:0/16:1(9Z)) C57H108O6 DATRBAYWFQZJEM-YWGGJCCTSA-N +HMDB0044782 916.845891326 TG(18:0/20:0/18:1(11Z)) C59H112O6 GZBPQMRKEPSOQQ-BUKBLQRKSA-N +HMDB0044783 916.845891326 TG(18:0/20:0/18:1(9Z)) C59H112O6 PMGLNPPJDNWBFI-KMWQWKMBSA-N +HMDB0044785 940.845891326 TG(18:0/20:0/20:3(5Z,8Z,11Z)) C61H112O6 IMVQRDFIBOZOMA-UGTFNXFHSA-N +HMDB0044786 972.908491584 TG(18:0/20:0/22:1(13Z)) C63H120O6 APCPZQYJQIVCIQ-HZLQDPIMSA-N +HMDB0044788 914.830241262 TG(18:0/20:0/18:2(9Z,12Z)) C59H110O6 XVCFHZCPVLNAMA-BSPWMJLXSA-N +HMDB0044790 942.861541391 TG(18:0/20:0/20:2n6) C61H114O6 PFPODELEONWMHD-UAHPIIFWSA-N +HMDB0044791 940.845891326 TG(18:0/20:0/20:3n6) C61H112O6 ATLSKDGFHXWZQX-LBLMAAEJSA-N +HMDB0044793 970.89284152 TG(18:0/20:0/22:2(13Z,16Z)) C63H118O6 HFPSXYRYGSJWEL-NUXSQISZSA-N +HMDB0044794 966.861541391 TG(18:0/20:0/22:4(7Z,10Z,13Z,16Z)) C63H114O6 WRPAVJZVCFOMOP-ZKHXJDFVSA-N +HMDB0044795 964.845891326 TG(18:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H112O6 QCIAAKBWAXWFOI-AZQLJNOYSA-N +HMDB0044798 938.830241262 TG(18:0/20:0/20:4(8Z,11Z,14Z,17Z)) C61H110O6 PBWSYTBHNXUZPG-LRCNZTLDSA-N +HMDB0044800 964.845891326 TG(18:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H112O6 IPHODDSCNVBUSO-SHMLEVFJSA-N +HMDB0044801 962.830241262 TG(18:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H110O6 NDODQCHGZSBDMO-AKZASNDYSA-N +HMDB0044807 888.814591198 TG(18:0/22:0/14:1(9Z)) C57H108O6 HMQDPLNLSJNOFZ-IXHOOSMISA-N +HMDB0044808 916.845891326 TG(18:0/22:0/16:1(9Z)) C59H112O6 RXFCPNVEKZDTFB-SZPKOVDMSA-N +HMDB0044811 972.908491584 TG(18:0/22:0/20:1(11Z)) C63H120O6 UMQZVBBPQUGNIW-WNYHZXHYSA-N +HMDB0044812 968.877191455 TG(18:0/22:0/20:3(5Z,8Z,11Z)) C63H116O6 BNEOBBHFUOWGMG-WZMHKBLQSA-N +HMDB0044815 942.861541391 TG(18:0/22:0/18:2(9Z,12Z)) C61H114O6 VBCHYGJCHLNVFC-VSQDVKCVSA-N +HMDB0044816 940.845891326 TG(18:0/22:0/18:3(6Z,9Z,12Z)) C61H112O6 VXILKXGVHSBSGJ-VNYALLQPSA-N +HMDB0044817 970.89284152 TG(18:0/22:0/20:2n6) C63H118O6 MIWJGWAISDNXBZ-ZTVVXRKDSA-N +HMDB0044818 968.877191455 TG(18:0/22:0/20:3n6) C63H116O6 JQOSLGXBJPERKJ-SVZCIJRBSA-N +HMDB0044819 966.861541391 TG(18:0/22:0/20:4(5Z,8Z,11Z,14Z)) C63H114O6 TVQFPEHRCSMMRD-HGWIOKADSA-N +HMDB0044823 940.845891326 TG(18:0/22:0/18:3(9Z,12Z,15Z)) C61H112O6 MFNWYZFORRXQHT-HGUYPXMVSA-N +HMDB0044824 938.830241262 TG(18:0/22:0/18:4(6Z,9Z,12Z,15Z)) C61H110O6 KDCWAZIMGWULJP-RMFNYSRHSA-N +HMDB0044825 966.861541391 TG(18:0/22:0/20:4(8Z,11Z,14Z,17Z)) C63H114O6 OLGCAYHSBQAASU-DJOUEDBJSA-N +HMDB0044826 964.845891326 TG(18:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H112O6 PFQZTTBUBNIVPK-ORUCCLEHSA-N +HMDB0044834 916.845891326 TG(18:0/24:0/14:1(9Z)) C59H112O6 UUZMFQOOGKVJDO-AAABZKSKSA-N +HMDB0044836 972.908491584 TG(18:0/24:0/18:1(11Z)) C63H120O6 RUXLBRZLBVLBFV-SVFUARKBSA-N +HMDB0044837 972.908491584 TG(18:0/24:0/18:1(9Z)) C63H120O6 CRRULBZKNVQXFP-LTLOUOCESA-N +HMDB0044842 970.89284152 TG(18:0/24:0/18:2(9Z,12Z)) C63H118O6 WVBWJULBZBNZMZ-WFYVVMRGSA-N +HMDB0044843 968.877191455 TG(18:0/24:0/18:3(6Z,9Z,12Z)) C63H116O6 KOGFJPQTJBKODN-LRSIYDEUSA-N +HMDB0044850 968.877191455 TG(18:0/24:0/18:3(9Z,12Z,15Z)) C63H116O6 BJGXENBEKNJTIW-UDMQSNSMSA-N +HMDB0044851 966.861541391 TG(18:0/24:0/18:4(6Z,9Z,12Z,15Z)) C63H114O6 VGHLSLRDNJIASC-BVKAFERTSA-N +HMDB0044859 888.814591198 TG(18:0/14:1(9Z)/22:0) C57H108O6 CLQGNDGHULBBGK-JGXNLIRDSA-N +HMDB0044860 916.845891326 TG(18:0/14:1(9Z)/24:0) C59H112O6 SKXGGXXHUILISA-YCJNRUSJSA-N +HMDB0044868 914.830241262 TG(18:0/14:1(9Z)/24:1(15Z)) C59H110O6 RWXPDMYGJSOHGX-AZKDRWSUSA-N +HMDB0044871 856.75199094 TG(18:0/14:1(9Z)/20:2n6) C55H100O6 JPOLYQGYZVQSPO-LPLBOQDCSA-N +HMDB0044873 852.720690811 TG(18:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C55H96O6 QXJSFSDQSFDVAT-UYLMMYTRSA-N +HMDB0044874 884.783291069 TG(18:0/14:1(9Z)/22:2(13Z,16Z)) C57H104O6 HFLPEQAAOJSPGG-YXBKKIBYSA-N +HMDB0044875 880.75199094 TG(18:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C57H100O6 AQMKAYODMONDGF-UVCNXRMISA-N +HMDB0044879 852.720690811 TG(18:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C55H96O6 GEPOGMMCAWOWOH-OBWKOLQCSA-N +HMDB0044885 888.814591198 TG(18:0/16:1(9Z)/20:0) C57H108O6 SCRUPIUQFHRDIJ-XVDGJACESA-N +HMDB0044886 916.845891326 TG(18:0/16:1(9Z)/22:0) C59H112O6 UTNNVFMIFYLBOY-HDIOEILJSA-N +HMDB0044893 882.767641004 TG(18:0/16:1(9Z)/20:3(5Z,8Z,11Z)) C57H102O6 CVHMEZFGALFXMT-LALVRRJTSA-N +HMDB0044894 914.830241262 TG(18:0/16:1(9Z)/22:1(13Z)) C59H110O6 SWUDGTDLMRDUKM-VFBDGFDBSA-N +HMDB0044895 942.861541391 TG(18:0/16:1(9Z)/24:1(15Z)) C61H114O6 AKJAVHDSGYNHSB-RHKJSXQCSA-N +HMDB0044896 856.75199094 TG(18:0/16:1(9Z)/18:2(9Z,12Z)) C55H100O6 YBYJHYPJVAOSBP-CYRKDGISSA-N +HMDB0044898 884.783291069 TG(18:0/16:1(9Z)/20:2n6) C57H104O6 IDMJDWJMYCKJQJ-XXQKTQNQSA-N +HMDB0044899 882.767641004 TG(18:0/16:1(9Z)/20:3n6) C57H102O6 UTAXARKBUGEENK-BXRAGAEDSA-N +HMDB0044900 880.75199094 TG(18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C57H100O6 ZXPZKPTYTWDDTR-UKVSDVJNSA-N +HMDB0044905 852.720690811 TG(18:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C55H96O6 RQYFNWIONOQUSC-OKADOCKFSA-N +HMDB0044906 880.75199094 TG(18:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C57H100O6 LHXURPBLCDMSQT-GQQFAOFJSA-N +HMDB0044911 888.814591188 TG(18:0/18:1(11Z)/18:0) C57H108O6 WVIOMIGIVJHZTN-FLFQWRMESA-N +HMDB0044912 916.845891326 TG(18:0/18:1(11Z)/20:0) C59H112O6 LXPJIWPRELJYCD-HDIOEILJSA-N +HMDB0044914 972.908491584 TG(18:0/18:1(11Z)/24:0) C63H120O6 OSVPTBUSNXGUED-VZKFWILHSA-N +HMDB0044919 914.830241262 TG(18:0/18:1(11Z)/20:1(11Z)) C59H110O6 DRXKVDMYIYMLIN-LEWBGJHJSA-N +HMDB0044921 942.861541391 TG(18:0/18:1(11Z)/22:1(13Z)) C61H114O6 ZLQMLOOMSZNYRJ-XURCBCPLSA-N +HMDB0044922 970.89284152 TG(18:0/18:1(11Z)/24:1(15Z)) C63H118O6 ALEWSTMZONDAQL-WCGXTGDWSA-N +HMDB0044923 884.783291069 TG(18:0/18:1(11Z)/18:2(9Z,12Z)) C57H104O6 TVLMJMFKNWRCGI-HIAAHSCQSA-N +HMDB0044924 882.767641004 TG(18:0/18:1(11Z)/18:3(6Z,9Z,12Z)) C57H102O6 XZEHHPQAMMWALZ-IVXHMXKMSA-N +HMDB0044928 940.845891326 TG(18:0/18:1(11Z)/22:2(13Z,16Z)) C61H112O6 OZLAHDGOWLSOAJ-OEMAFOEQSA-N +HMDB0044931 882.767641004 TG(18:0/18:1(11Z)/18:3(9Z,12Z,15Z)) C57H102O6 QWODFTFSLHKZKF-OKWLNNLGSA-N +HMDB0044932 880.75199094 TG(18:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C57H100O6 AHASBULBODWAPU-CUIPNJCHSA-N +HMDB0044937 874.835326642 TG(18:0/18:1(11Z)/o-18:0) C57H110O5 NTZYNUIJRPZFCR-AYMZKUIOSA-N +HMDB0044938 888.814591188 TG(18:0/18:1(9Z)/18:0) C57H108O6 RBLADLVPSYELCA-IKPAITLHSA-N +HMDB0044941 972.908491584 TG(18:0/18:1(9Z)/24:0) C63H120O6 JCJXSYIZXLFKNX-IUALHSBXSA-N +HMDB0044948 942.861541391 TG(18:0/18:1(9Z)/22:1(13Z)) C61H114O6 RQLZZCKGBZFETM-OUNLHQQGSA-N +HMDB0044949 970.89284152 TG(18:0/18:1(9Z)/24:1(15Z)) C63H118O6 AFCLJNCTQYJPGS-NAFTZFJHSA-N +HMDB0044951 882.767641004 TG(18:0/18:1(9Z)/18:3(6Z,9Z,12Z)) C57H102O6 JOJVDNJANFYSHZ-BEWFDITGSA-N +HMDB0044955 940.845891326 TG(18:0/18:1(9Z)/22:2(13Z,16Z)) C61H112O6 QHPYYZFXEDYENT-UYUVCTIRSA-N +HMDB0044958 882.767641004 TG(18:0/18:1(9Z)/18:3(9Z,12Z,15Z)) C57H102O6 BRLGHZXETDWABO-FCTLATDHSA-N +HMDB0044959 880.75199094 TG(18:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C57H100O6 IXDYCTWELIBSSO-OULNBDFMSA-N +HMDB0044964 874.835326642 TG(18:0/18:1(9Z)/o-18:0) C57H110O5 QGKVIRKDCRKDQI-GTJVTHKGSA-N +HMDB0044965 916.845891316 TG(18:0/20:1(11Z)/18:0) C59H112O6 OCUVIQQPCBIFRP-FVDSYPCUSA-N +HMDB0044967 972.908491584 TG(18:0/20:1(11Z)/22:0) C63H120O6 XXNKCKKMSRHNDQ-WNYHZXHYSA-N +HMDB0044971 914.830241262 TG(18:0/20:1(11Z)/18:1(11Z)) C59H110O6 GTGOXBMVMINSSB-BJXYBHFZSA-N +HMDB0044972 914.830241262 TG(18:0/20:1(11Z)/18:1(9Z)) C59H110O6 NQKRWZVYDJMTOX-MLZSESCUSA-N +HMDB0044974 938.830241262 TG(18:0/20:1(11Z)/20:3(5Z,8Z,11Z)) C61H110O6 NUAAGXVXOLBDRH-TXPZPBLZSA-N +HMDB0044975 970.89284152 TG(18:0/20:1(11Z)/22:1(13Z)) C63H118O6 OYNGPKGJSNVQOS-HQBPBTHXSA-N +HMDB0044979 940.845891326 TG(18:0/20:1(11Z)/20:2n6) C61H112O6 IOFQLHPECKLVSM-FLMLNZEISA-N +HMDB0044980 938.830241262 TG(18:0/20:1(11Z)/20:3n6) C61H110O6 NCJLYHVTMRUDRY-NQDOFZADSA-N +HMDB0044982 968.877191455 TG(18:0/20:1(11Z)/22:2(13Z,16Z)) C63H116O6 NSFHGSMSKWUULJ-VOZBUZFHSA-N +HMDB0044983 964.845891326 TG(18:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C63H112O6 IEMDRUBCZRDUKX-DOEHVUJYSA-N +HMDB0044984 962.830241262 TG(18:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H110O6 DWIFUTKZBKIVIO-PVSLLAIASA-N +HMDB0044989 962.830241262 TG(18:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H110O6 RPRUIZWBGFJFML-XUFMVWCYSA-N +HMDB0044991 902.866626771 TG(18:0/20:1(11Z)/o-18:0) C59H114O5 GFGMXYASPNDDEJ-DFOJIGQQSA-N +HMDB0044993 940.845891326 TG(18:0/20:3(5Z,8Z,11Z)/20:0) C61H112O6 VUMXXMHKLBIICK-RWKAMNIQSA-N +HMDB0044994 968.877191455 TG(18:0/20:3(5Z,8Z,11Z)/22:0) C63H116O6 IMFARGSEPLYKKO-BVTSHZFNSA-N +HMDB0044997 882.767641004 TG(18:0/20:3(5Z,8Z,11Z)/16:1(9Z)) C57H102O6 HGGUZVCKVZRCSS-QLUDRBNQSA-N +HMDB0045000 938.830241262 TG(18:0/20:3(5Z,8Z,11Z)/20:1(11Z)) C61H110O6 YUPFJKWSOWOCMK-BLBSEIANSA-N +HMDB0045002 966.861541391 TG(18:0/20:3(5Z,8Z,11Z)/22:1(13Z)) C63H114O6 VRWLAKNBXGYTIC-JURZGQHSSA-N +HMDB0045009 964.845891326 TG(18:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z)) C63H112O6 MCTXTKYETLGMSB-ZILCMUFCSA-N +HMDB0045011 958.798941133 TG(18:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H106O6 MQTQRKAUZZYKLD-NSJYWYAVSA-N +HMDB0045016 958.798941133 TG(18:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H106O6 LRLJXQHYZIWUEY-VEWYSBMJSA-N +HMDB0045017 956.783291069 TG(18:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H104O6 ZAABBQKBBZHIKW-HIGBRWCSSA-N +HMDB0045020 972.908491584 TG(18:0/22:1(13Z)/20:0) C63H120O6 YENXZCWCIMKQCY-HZLQDPIMSA-N +HMDB0045024 914.830241262 TG(18:0/22:1(13Z)/16:1(9Z)) C59H110O6 YXNAYHGGFGKLHS-HVYAKTSASA-N +HMDB0045025 942.861541391 TG(18:0/22:1(13Z)/18:1(11Z)) C61H114O6 FGOIRQZPYNSNTG-KIYGDOFBSA-N +HMDB0045026 942.861541391 TG(18:0/22:1(13Z)/18:1(9Z)) C61H114O6 HTXFYVWYFJNSRG-RWMORWPJSA-N +HMDB0045027 970.89284152 TG(18:0/22:1(13Z)/20:1(11Z)) C63H118O6 MRYNICMNUGGZAJ-HQBPBTHXSA-N +HMDB0045028 966.861541391 TG(18:0/22:1(13Z)/20:3(5Z,8Z,11Z)) C63H114O6 HBMHHUTWSLFSBG-OAHZRARMSA-N +HMDB0045031 940.845891326 TG(18:0/22:1(13Z)/18:2(9Z,12Z)) C61H112O6 BCDRZMKISYSJPP-CGSGPZGSSA-N +HMDB0045032 938.830241262 TG(18:0/22:1(13Z)/18:3(6Z,9Z,12Z)) C61H110O6 JWEMQLKKBMDMSC-UANQULQISA-N +HMDB0045033 968.877191455 TG(18:0/22:1(13Z)/20:2n6) C63H116O6 QXOPDZOQHIVILD-HHIZIFKISA-N +HMDB0045034 966.861541391 TG(18:0/22:1(13Z)/20:3n6) C63H114O6 NKVPAWUMBWESJM-XDRDHHGRSA-N +HMDB0045035 964.845891326 TG(18:0/22:1(13Z)/20:4(5Z,8Z,11Z,14Z)) C63H112O6 VRRPYVKHLUMVJX-BDPNYXBCSA-N +HMDB0045039 938.830241262 TG(18:0/22:1(13Z)/18:3(9Z,12Z,15Z)) C61H110O6 UVBMJNGWTCZEQF-PMEQYAFJSA-N +HMDB0045041 964.845891326 TG(18:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z)) C63H112O6 WFKRBGOCZSKULO-PSUWRVPUSA-N +HMDB0045042 962.830241262 TG(18:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H110O6 MAHQPVANDQGZIN-NTNWIWTMSA-N +HMDB0045046 972.908491572 TG(18:0/24:1(15Z)/18:0) C63H120O6 KUKLTLNSTKLWOK-FVDSYPCUSA-N +HMDB0045050 914.830241262 TG(18:0/24:1(15Z)/14:1(9Z)) C59H110O6 SHPCUQLAGQRBSR-HYQPEPIUSA-N +HMDB0045051 942.861541391 TG(18:0/24:1(15Z)/16:1(9Z)) C61H114O6 HAZYEPTWRFLUON-GDBZVGQESA-N +HMDB0045052 970.89284152 TG(18:0/24:1(15Z)/18:1(11Z)) C63H118O6 KCZXAMVZIWNRAA-RNCMSDBXSA-N +HMDB0045053 970.89284152 TG(18:0/24:1(15Z)/18:1(9Z)) C63H118O6 DKLOEZUJIXIVSU-SXLFIPTDSA-N +HMDB0045058 968.877191455 TG(18:0/24:1(15Z)/18:2(9Z,12Z)) C63H116O6 ACFCSXYEAINHFR-JOOBHXTJSA-N +HMDB0045059 966.861541391 TG(18:0/24:1(15Z)/18:3(6Z,9Z,12Z)) C63H114O6 NXVPBQKOQAHIQZ-ZUPCQKIOSA-N +HMDB0045066 966.861541391 TG(18:0/24:1(15Z)/18:3(9Z,12Z,15Z)) C63H114O6 RWHDQXUEVMMABX-LDOFVRLXSA-N +HMDB0045067 964.845891326 TG(18:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z)) C63H112O6 JLGWZFFBMBENJB-KYXQNJKZSA-N +HMDB0045072 958.929227028 TG(18:0/24:1(15Z)/o-18:0) C63H122O5 WIUBICRACXYXHV-NYRYLARASA-N +HMDB0045075 942.861541391 TG(18:0/18:2(9Z,12Z)/22:0) C61H114O6 VTHDNMHRPKXWMZ-WMMWWMJFSA-N +HMDB0045076 970.89284152 TG(18:0/18:2(9Z,12Z)/24:0) C63H118O6 FUYKNMGGFRUDSS-XMDWGKHBSA-N +HMDB0045078 856.75199094 TG(18:0/18:2(9Z,12Z)/16:1(9Z)) C55H100O6 TZMQOSMAJITOAT-TWPJAYPBSA-N +HMDB0045079 884.783291069 TG(18:0/18:2(9Z,12Z)/18:1(11Z)) C57H104O6 OKAAPUQYUHINCC-JPAMPYFZSA-N +HMDB0045080 884.783291069 TG(18:0/18:2(9Z,12Z)/18:1(9Z)) C57H104O6 AAXMCYUUKFLUMJ-JSFHAIONSA-N +HMDB0045083 940.845891326 TG(18:0/18:2(9Z,12Z)/22:1(13Z)) C61H112O6 AGXFHKUZXQPREM-VBDNUALRSA-N +HMDB0045084 968.877191455 TG(18:0/18:2(9Z,12Z)/24:1(15Z)) C63H116O6 PEXSAAMYDXHXJR-KUDLTUAXSA-N +HMDB0045086 880.75199094 TG(18:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) C57H100O6 FOOVNYMOCOZYCS-FEJMAITCSA-N +HMDB0045090 938.830241262 TG(18:0/18:2(9Z,12Z)/22:2(13Z,16Z)) C61H110O6 OZEFVBNHXBHBOW-JMKRSAAASA-N +HMDB0045093 880.75199094 TG(18:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) C57H100O6 CFIAQJQGPHURGU-YRSSWLJYSA-N +HMDB0045100 884.78329106 TG(18:0/18:3(6Z,9Z,12Z)/18:0) C57H104O6 SXDAWDWMVQAQOY-BXDHOHHHSA-N +HMDB0045102 940.845891326 TG(18:0/18:3(6Z,9Z,12Z)/22:0) C61H112O6 QUXKGFALHOZZDI-BLAZJOSUSA-N +HMDB0045103 968.877191455 TG(18:0/18:3(6Z,9Z,12Z)/24:0) C63H116O6 JTJZUFAYMWLIGR-GFXRHTKRSA-N +HMDB0045106 882.767641004 TG(18:0/18:3(6Z,9Z,12Z)/18:1(11Z)) C57H102O6 JIYHMQDXQDVDIQ-UWWYLVAFSA-N +HMDB0045107 882.767641004 TG(18:0/18:3(6Z,9Z,12Z)/18:1(9Z)) C57H102O6 JLLNDMXBRCFCMO-HMUWYHQJSA-N +HMDB0045110 938.830241262 TG(18:0/18:3(6Z,9Z,12Z)/22:1(13Z)) C61H110O6 NWCGBGIXJBNACP-ZAXCPQCGSA-N +HMDB0045111 966.861541391 TG(18:0/18:3(6Z,9Z,12Z)/24:1(15Z)) C63H114O6 XZCFLUUMROMSAR-PXKUIHTLSA-N +HMDB0045112 880.75199094 TG(18:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) C57H100O6 FHKXPCWAEDEJKG-LEDSTZLCSA-N +HMDB0045126 870.804026513 TG(18:0/18:3(6Z,9Z,12Z)/o-18:0) C57H106O5 OSNTYLCOCUHBGM-QMUGSFBZSA-N +HMDB0045127 914.830241262 TG(18:0/20:2n6/18:0) C59H110O6 OKJDYZDDQFURDR-LVBVOWIESA-N +HMDB0045128 942.861541391 TG(18:0/20:2n6/20:0) C61H114O6 QPDHZEQJAFYSNE-FPHZGZEOSA-N +HMDB0045129 970.89284152 TG(18:0/20:2n6/22:0) C63H118O6 UEPNNQMHGKLSKK-ZTVVXRKDSA-N +HMDB0045131 856.75199094 TG(18:0/20:2n6/14:1(9Z)) C55H100O6 UJRVGGIOIJYNLP-INLODCDNSA-N +HMDB0045132 884.783291069 TG(18:0/20:2n6/16:1(9Z)) C57H104O6 UEOJWPZDTKLQJA-ISJYKPTOSA-N +HMDB0045135 940.845891326 TG(18:0/20:2n6/20:1(11Z)) C61H112O6 YRNOILAKWQZJOO-CXWPALGVSA-N +HMDB0045137 968.877191455 TG(18:0/20:2n6/22:1(13Z)) C63H116O6 VFMVVXVFRDLZMQ-HHIZIFKISA-N +HMDB0045141 938.830241262 TG(18:0/20:2n6/20:2n6) C61H110O6 SBHOBWMHSSIWIO-CLBRXFEDSA-N +HMDB0045144 966.861541391 TG(18:0/20:2n6/22:2(13Z,16Z)) C63H114O6 GNKDSUNTVMVVBM-OGRIISAJSA-N +HMDB0045145 962.830241262 TG(18:0/20:2n6/22:4(7Z,10Z,13Z,16Z)) C63H110O6 NKQWVJHGQMXCFY-CWBHPBIOSA-N +HMDB0045152 958.798941133 TG(18:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H106O6 XLDJIGJUYLTKCW-AMQQJGMESA-N +HMDB0045153 900.850976706 TG(18:0/20:2n6/o-18:0) C59H112O5 IDNFRJBDXYQKBM-GKMOKLMGSA-N +HMDB0045155 940.845891326 TG(18:0/20:3n6/20:0) C61H112O6 KXAMFYWJHGZEGH-POVCTMQZSA-N +HMDB0045156 968.877191455 TG(18:0/20:3n6/22:0) C63H116O6 ZPZAEIZDMKHCGA-DQJQKEMASA-N +HMDB0045159 882.767641004 TG(18:0/20:3n6/16:1(9Z)) C57H102O6 WZYMUGLYGUNQDO-NWAIAITFSA-N +HMDB0045162 938.830241262 TG(18:0/20:3n6/20:1(11Z)) C61H110O6 MJAVVKUVPSLGBA-DVSXGRPGSA-N +HMDB0045164 966.861541391 TG(18:0/20:3n6/22:1(13Z)) C63H114O6 MJEBHXWSLTWPCM-CNJKKVNMSA-N +HMDB0045171 964.845891326 TG(18:0/20:3n6/22:2(13Z,16Z)) C63H112O6 MEIGPYFQXNHGCJ-QJEOPGCOSA-N +HMDB0045173 958.798941133 TG(18:0/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)) C63H106O6 LQGJLTQDXJLJGB-RQCTUJEGSA-N +HMDB0045178 958.798941133 TG(18:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)) C63H106O6 CGTDWZHIXKXGNM-RGJOZCBESA-N +HMDB0045179 956.783291069 TG(18:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H104O6 KWKOUCDAAANDPY-PRKOOHHZSA-N +HMDB0045182 938.830241262 TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:0) C61H110O6 PCXVFXRDXMNRHE-PYRCLQTDSA-N +HMDB0045183 966.861541391 TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:0) C63H114O6 VLOCCOVTRWLMEU-ZTPDLCGESA-N +HMDB0045185 852.720690811 TG(18:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z)) C55H96O6 STRGYEHUWWQWTA-LSNMNOJMSA-N +HMDB0045186 880.75199094 TG(18:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) C57H100O6 UOLSYLSXKGOQQK-VRBYCHNISA-N +HMDB0045191 964.845891326 TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z)) C63H112O6 RXSFIMVOIADAFE-VFUVEHBSSA-N +HMDB0045198 962.830241262 TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)) C63H110O6 YJELIPRHDFZGTI-YDRLPFBYSA-N +HMDB0045199 958.798941133 TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) C63H106O6 MBYYMZUVLLYROS-XFVWFZJZSA-N +HMDB0045200 956.783291069 TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H104O6 VKCTUXDPTHSMPZ-NLYINHNWSA-N +HMDB0045205 956.783291069 TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 VDTUMEBCKWSEJW-OFDFIMGJSA-N +HMDB0045206 954.767641004 TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 KKJGCGBAFKPDGN-AXQNHMBDSA-N +HMDB0045208 942.86154138 TG(18:0/22:2(13Z,16Z)/18:0) C61H114O6 QDDFZEYQURVBHO-LVBVOWIESA-N +HMDB0045209 970.89284152 TG(18:0/22:2(13Z,16Z)/20:0) C63H118O6 LPELEKIVSWFLKI-NUXSQISZSA-N +HMDB0045212 884.783291069 TG(18:0/22:2(13Z,16Z)/14:1(9Z)) C57H104O6 FWBKQSARGDXJLH-VZKMDISCSA-N +HMDB0045214 940.845891326 TG(18:0/22:2(13Z,16Z)/18:1(11Z)) C61H112O6 FTTKNOTUTROZKZ-UHSNCZLYSA-N +HMDB0045215 940.845891326 TG(18:0/22:2(13Z,16Z)/18:1(9Z)) C61H112O6 QDZSNMGLSOCIKD-FWIVFOPYSA-N +HMDB0045216 968.877191455 TG(18:0/22:2(13Z,16Z)/20:1(11Z)) C63H116O6 CMYGJOFGWDPRGY-VOZBUZFHSA-N +HMDB0045217 964.845891326 TG(18:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z)) C63H112O6 IDAQDJPLYHWOKS-NHIUTETASA-N +HMDB0045220 938.830241262 TG(18:0/22:2(13Z,16Z)/18:2(9Z,12Z)) C61H110O6 NMZIXCZQAKUEKO-QYODDPQFSA-N 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DHFHFDYQWHOMJO-CSOAMPEQSA-N +HMDB0045251 958.798941133 TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C63H106O6 QEBZICHWOFBWMS-BXBPZLISSA-N +HMDB0045257 958.798941133 TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C63H106O6 ZFXYDOMFBWQZNA-OEPLPROGSA-N +HMDB0045258 956.783291069 TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 PAKBTZYUUDHYDL-OZZJIWKISA-N +HMDB0045261 924.850976706 TG(18:0/22:4(7Z,10Z,13Z,16Z)/o-18:0) C61H112O5 HLHOFQHIUQLVAE-RHNCSCFFSA-N +HMDB0045263 964.845891326 TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:0) C63H112O6 MWJBYDLBNUIUKI-ZVKHHTNOSA-N +HMDB0045270 962.830241262 TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)) C63H110O6 FOIBEFNGSFFBMC-WMWAADGMSA-N +HMDB0045271 958.798941133 TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)) C63H106O6 JLSNFGORYGPKQA-XEZSGRQCSA-N +HMDB0045277 958.798941133 TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6) C63H106O6 CDFAJARHNVKXPZ-AESULGNNSA-N +HMDB0045278 956.783291069 TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C63H104O6 WDAMDABFGGIOBB-NDXZBYJQSA-N +HMDB0045284 956.783291069 TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C63H104O6 RBJAIGDUPAACLQ-QFBUTMHNSA-N +HMDB0045285 954.767641004 TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 OHFJEIHIIZLXHT-HVUXWFRBSA-N +HMDB0045287 980.783291069 TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 FRFQSYRDVBGUBF-KTGBSMIYSA-N +HMDB0045289 884.78329106 TG(18:0/18:3(9Z,12Z,15Z)/18:0) C57H104O6 YJHQECFFCOYQLS-YTMLWYSLSA-N +HMDB0045291 940.845891326 TG(18:0/18:3(9Z,12Z,15Z)/22:0) C61H112O6 VIGAYEURCPHMGZ-UDRAQAHNSA-N +HMDB0045292 968.877191455 TG(18:0/18:3(9Z,12Z,15Z)/24:0) C63H116O6 CCTFWKNIQDIFGW-BDPSZCGGSA-N +HMDB0045295 882.767641004 TG(18:0/18:3(9Z,12Z,15Z)/18:1(11Z)) C57H102O6 HIOAMCRVNLXZQC-CTRCWUJRSA-N +HMDB0045296 882.767641004 TG(18:0/18:3(9Z,12Z,15Z)/18:1(9Z)) C57H102O6 APUGAHTVBGXVKV-MRUQREPFSA-N +HMDB0045299 938.830241262 TG(18:0/18:3(9Z,12Z,15Z)/22:1(13Z)) C61H110O6 JYQPRHZKULXQCI-MAWJDQTHSA-N +HMDB0045300 966.861541391 TG(18:0/18:3(9Z,12Z,15Z)/24:1(15Z)) C63H114O6 JYQSHOWOAIDEJS-PEPBPGFISA-N +HMDB0045301 880.75199094 TG(18:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) C57H100O6 NYFNHSSPUMHKRM-ANIFFHRWSA-N +HMDB0045315 870.804026513 TG(18:0/18:3(9Z,12Z,15Z)/o-18:0) C57H106O5 YZSJMIBWBNKODT-AAHAZSIPSA-N +HMDB0045316 882.767640996 TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:0) C57H102O6 DJYNSHLHLLYWLD-QWZXXBLSSA-N +HMDB0045318 938.830241262 TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:0) C61H110O6 DQHAGOJZQAKIDI-BAZNXKAYSA-N +HMDB0045319 966.861541391 TG(18:0/18:4(6Z,9Z,12Z,15Z)/24:0) C63H114O6 NIUHSZFZGDYMCJ-PFBNTUQISA-N +HMDB0045321 852.720690811 TG(18:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z)) C55H96O6 ASJHAVAPNBVXQH-PXMRWORUSA-N +HMDB0045322 880.75199094 TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z)) C57H100O6 VCXOXNIREQFVQW-NYUCNPOMSA-N +HMDB0045323 880.75199094 TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z)) C57H100O6 YIJBKAITYUJKQL-LDXVSRRQSA-N +HMDB0045327 964.845891326 TG(18:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z)) C63H112O6 UGSOYIWJZWSYGO-IFGLFFKQSA-N 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TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H104O6 AKYYZUWPIITYAK-HJJVPOESSA-N +HMDB0045367 956.783291069 TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 VGDHPALBZNZOAN-JMTVFVGRSA-N +HMDB0045368 954.767641004 TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 RXVLBDOYHGQIHF-SWXKNVJDSA-N +HMDB0045372 964.845891326 TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0) C63H112O6 UGESMJAODJVYKL-QJOGIDDNSA-N +HMDB0045380 962.830241262 TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z)) C63H110O6 BHSZPPTYGRFCSI-AWMQCPORSA-N +HMDB0045388 956.783291069 TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C63H104O6 FUFCCGBYLOBWHP-GCJOXKIISA-N +HMDB0045389 954.767641004 TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H102O6 WEHFEWQFZHCTSK-CJVFTWQWSA-N +HMDB0045391 900.720690811 TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) C59H96O6 HQMVQKBESXYEOV-RDXPTAAPSA-N +HMDB0045394 954.767641004 TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 OHSCTPYVQBIXJB-JOVICSMISA-N +HMDB0045395 952.75199094 TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 ORHRYJKHSZANHP-RHLDFOEISA-N +HMDB0045398 964.845891326 TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:0) C63H112O6 DSTCTJRXZHFEEO-CYHCANLKSA-N +HMDB0045405 962.830241262 TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) C63H110O6 DWQZBCMNGWIPJK-AKRVDTJHSA-N +HMDB0045406 958.798941133 TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)) C63H106O6 BRPUMZUOUUAVGA-QZXWPPGBSA-N +HMDB0045412 958.798941133 TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6) C63H106O6 FFMPGKXDJNLCRV-RTLLCJTESA-N +HMDB0045413 956.783291069 TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C63H104O6 XOMMIQREYDPKRF-FMYHXWRUSA-N +HMDB0045419 956.783291069 TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C63H104O6 IUMDGPNWURWSCV-FJBSQTRCSA-N +HMDB0045420 954.767641004 TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 QAMWFCYOJWMYOC-SBGMQPKRSA-N +HMDB0045422 980.783291069 TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 NHOONBFZUMWOFW-OWQGDOAGSA-N +HMDB0045425 962.830241262 TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0) C63H110O6 NFFNDBLEGQCYOX-TWKXXNKTSA-N +HMDB0045433 956.783291069 TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)) C63H104O6 SXAAWCNXDWGCLB-WVVQKHDVSA-N +HMDB0045438 958.798941133 TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6) C63H106O6 FTHLMZICSLNUNG-RFAFCCPUSA-N +HMDB0045439 956.783291069 TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6) C63H104O6 QWLKJDKJCFMSGB-OZQFVIIKSA-N +HMDB0045440 954.767641004 TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C63H102O6 JGZAQTBYJIAXMB-IQVPNVFRSA-N +HMDB0045443 980.783291069 TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H104O6 UURRRKGAHHCVSI-ATWVAKFQSA-N +HMDB0045446 954.767641004 TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C63H102O6 HOJKDYMVHKKNHI-KDGBUHMYSA-N +HMDB0045447 952.75199094 TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 RGEZBXPRDPDBNY-NHHCUWNXSA-N +HMDB0045448 980.783291069 TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 OTFHEYIENBSGTP-HZMSJLSZSA-N +HMDB0045449 978.767641004 TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 POVKTGOFOJWXMA-VQHKAUGWSA-N +HMDB0045457 874.835326642 TG(18:0/o-18:0/18:1(11Z)) C57H110O5 OLZRHDMTTQNXSI-ORXJQOAGSA-N +HMDB0045458 874.835326642 TG(18:0/o-18:0/18:1(9Z)) C57H110O5 MCIPPLJLYFTODM-OVDKEJHLSA-N +HMDB0045459 902.866626771 TG(18:0/o-18:0/20:1(11Z)) C59H114O5 YEMQFZGWRFYGJM-CUASBFQXSA-N +HMDB0045462 958.929227028 TG(18:0/o-18:0/24:1(15Z)) C63H122O5 WITFBADACYFOQN-SBOILKGHSA-N +HMDB0045464 870.804026513 TG(18:0/o-18:0/18:3(6Z,9Z,12Z)) C57H106O5 LLAVCIGKJBNPIR-LRZOXXFJSA-N +HMDB0045465 900.850976706 TG(18:0/o-18:0/20:2n6) C59H112O5 RPLBRIYXQKGFND-NRCLJHGGSA-N +HMDB0045468 928.882276835 TG(18:0/o-18:0/22:2(13Z,16Z)) C61H116O5 BEJINFUEKQSHML-ADMBXHAWSA-N +HMDB0045469 924.850976706 TG(18:0/o-18:0/22:4(7Z,10Z,13Z,16Z)) C61H112O5 FCSMYJQXGWBEFO-XNWOAGELSA-N +HMDB0045471 870.804026513 TG(18:0/o-18:0/18:3(9Z,12Z,15Z)) C57H106O5 WNIDTLACSIPEOD-QZRROOOBSA-N +HMDB0045472 868.788376449 TG(18:0/o-18:0/18:4(6Z,9Z,12Z,15Z)) C57H104O5 DWWVDERGXAMHFX-FRVOMFDKSA-N +HMDB0045484 888.814591198 TG(20:0/14:0/20:1(11Z)) C57H108O6 BWOHNVUJJCXFQP-RIIZGYGHSA-N +HMDB0045485 884.783291069 TG(20:0/14:0/20:3(5Z,8Z,11Z)) C57H104O6 PYZPMTALAXHGCB-CAWRAVACSA-N +HMDB0045486 916.845891326 TG(20:0/14:0/22:1(13Z)) C59H112O6 IPYRBHTYCZWCET-LIZMGIQCSA-N +HMDB0045489 856.75199094 TG(20:0/14:0/18:3(6Z,9Z,12Z)) C55H100O6 VNKAHKVFGRGTQD-BZTWIAFQSA-N +HMDB0045491 884.783291069 TG(20:0/14:0/20:3n6) C57H104O6 HEZIFHPOCSMIRI-SBIMNFJZSA-N +HMDB0045492 882.767641004 TG(20:0/14:0/20:4(5Z,8Z,11Z,14Z)) C57H102O6 SQKYADYBUNVMCF-TZKWBVHZSA-N +HMDB0045493 914.830241262 TG(20:0/14:0/22:2(13Z,16Z)) C59H110O6 SYGFOSKNZKVBDP-KNAYTQRDSA-N +HMDB0045496 856.75199094 TG(20:0/14:0/18:3(9Z,12Z,15Z)) C55H100O6 CHGVHAOSWOJCHZ-ZNVCVHDVSA-N +HMDB0045498 882.767641004 TG(20:0/14:0/20:4(8Z,11Z,14Z,17Z)) C57H102O6 OAWZXYQFSSUDQG-RVRVDDSXSA-N +HMDB0045499 880.75199094 TG(20:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z)) C57H100O6 JBRTUJBXWSKTAY-XDMDWMGJSA-N +HMDB0045511 898.798941133 TG(20:0/15:0/20:3(5Z,8Z,11Z)) C58H106O6 ASJDYPQIFWQJPP-DFBVFTRISA-N +HMDB0045517 898.798941133 TG(20:0/15:0/20:3n6) C58H106O6 MGWARNQTGMPDFT-YGNDMOEESA-N +HMDB0045518 896.783291069 TG(20:0/15:0/20:4(5Z,8Z,11Z,14Z)) C58H104O6 SEEXZSJWUOGTDD-IBHLQUFFSA-N +HMDB0045524 896.783291069 TG(20:0/15:0/20:4(8Z,11Z,14Z,17Z)) C58H104O6 UJUOOWYFRZLMGP-TVZXMLSKSA-N +HMDB0045534 888.814591198 TG(20:0/16:0/18:1(11Z)) C57H108O6 ZAQSWHTVZWGPPD-WTNBXCFCSA-N +HMDB0045535 888.814591198 TG(20:0/16:0/18:1(9Z)) C57H108O6 YPMNDOUIDVDQOW-CZTCNMGMSA-N +HMDB0045536 916.845891326 TG(20:0/16:0/20:1(11Z)) C59H112O6 KAKUNEKXMAHXNF-VXVUXWGWSA-N +HMDB0045539 972.908491584 TG(20:0/16:0/24:1(15Z)) C63H120O6 MYQZXEILKZNHFK-HBFRPXMKSA-N +HMDB0045541 884.783291069 TG(20:0/16:0/18:3(6Z,9Z,12Z)) C57H104O6 XYQFDSGKFQESCN-KEWDIONSSA-N +HMDB0045542 914.830241262 TG(20:0/16:0/20:2n6) C59H110O6 VTPICOUFYQJTJI-HAVOCZCHSA-N +HMDB0045545 942.861541391 TG(20:0/16:0/22:2(13Z,16Z)) C61H114O6 POSPEMGIHZMKBT-KMHMPRQHSA-N +HMDB0045546 938.830241262 TG(20:0/16:0/22:4(7Z,10Z,13Z,16Z)) C61H110O6 MPLJLGNREKLWNT-CDBIGVDSSA-N +HMDB0045548 884.783291069 TG(20:0/16:0/18:3(9Z,12Z,15Z)) C57H104O6 LJYSOCUILOBCPA-DXRFALFFSA-N +HMDB0045549 882.767641004 TG(20:0/16:0/18:4(6Z,9Z,12Z,15Z)) C57H102O6 JWVUDERNGFMBBB-UYIKSULZSA-N +HMDB0045559 888.814591188 TG(20:0/18:0/16:1(9Z)) C57H108O6 UTGDZOIOODXGAH-YWGGJCCTSA-N +HMDB0045560 916.845891326 TG(20:0/18:0/18:1(11Z)) C59H112O6 NDDBFQIGGOFJRX-BUKBLQRKSA-N +HMDB0045561 916.845891326 TG(20:0/18:0/18:1(9Z)) C59H112O6 WOYJJCSXKNHKCN-KMWQWKMBSA-N +HMDB0045563 940.845891326 TG(20:0/18:0/20:3(5Z,8Z,11Z)) C61H112O6 IUCQBMBRIJLQCE-IARNVVBISA-N +HMDB0045564 972.908491584 TG(20:0/18:0/22:1(13Z)) C63H120O6 UXJYWOFCVLKPDF-HZLQDPIMSA-N +HMDB0045566 914.830241262 TG(20:0/18:0/18:2(9Z,12Z)) C59H110O6 FEWUEBYAXQMTPT-BSPWMJLXSA-N +HMDB0045568 942.861541391 TG(20:0/18:0/20:2n6) C61H114O6 FCHJVBOWMICKJA-UAUPZCQFSA-N +HMDB0045569 940.845891326 TG(20:0/18:0/20:3n6) C61H112O6 KPIFNDIZKFVARX-SIPJOPBTSA-N +HMDB0045570 938.830241262 TG(20:0/18:0/20:4(5Z,8Z,11Z,14Z)) C61H110O6 SALMPXKLCVMTMW-VIDXZENWSA-N +HMDB0045571 970.89284152 TG(20:0/18:0/22:2(13Z,16Z)) C63H118O6 DNBLIASYUOJINW-NUXSQISZSA-N +HMDB0045572 966.861541391 TG(20:0/18:0/22:4(7Z,10Z,13Z,16Z)) C63H114O6 NZBRMZMLPIKHLK-ZKHXJDFVSA-N +HMDB0045573 964.845891326 TG(20:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H112O6 XYNZLONPOFRLJB-AZQLJNOYSA-N +HMDB0045576 938.830241262 TG(20:0/18:0/20:4(8Z,11Z,14Z,17Z)) C61H110O6 GSYLODJVGAPZPZ-KQSOXEKQSA-N +HMDB0045578 964.845891326 TG(20:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H112O6 YJBBKAQEXQATDN-SHMLEVFJSA-N +HMDB0045579 962.830241262 TG(20:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H110O6 APPYUQSCODMKIN-AKZASNDYSA-N +HMDB0045584 888.814591198 TG(20:0/20:0/14:1(9Z)) C57H108O6 IUDLXSDWDIHVDD-IXHOOSMISA-N +HMDB0045585 916.845891316 TG(20:0/20:0/16:1(9Z)) C59H112O6 KJVYOEKCDNOOAP-SZPKOVDMSA-N +HMDB0045589 968.877191455 TG(20:0/20:0/20:3(5Z,8Z,11Z)) C63H116O6 HQKSQUGAHISWQN-QVFOBYJHSA-N +HMDB0045592 942.86154138 TG(20:0/20:0/18:2(9Z,12Z)) C61H114O6 VYGDFJHLNCSFJZ-GDTJZKNMSA-N +HMDB0045593 940.845891326 TG(20:0/20:0/18:3(6Z,9Z,12Z)) C61H112O6 AQYRONSXFRXAPZ-OPULACOYSA-N +HMDB0045594 970.89284152 TG(20:0/20:0/20:2n6) C63H118O6 IURMBXSVKSWAOA-UKFOTICSSA-N +HMDB0045595 968.877191455 TG(20:0/20:0/20:3n6) C63H116O6 SKYYKLLKGOJLMR-CZCJEMLCSA-N +HMDB0045600 940.845891326 TG(20:0/20:0/18:3(9Z,12Z,15Z)) C61H112O6 SJKUKFUWJWEPFD-AHYWTYHESA-N +HMDB0045601 938.830241262 TG(20:0/20:0/18:4(6Z,9Z,12Z,15Z)) C61H110O6 GFKHXQTZIPZMNW-OEBPQYFJSA-N +HMDB0045602 966.861541391 TG(20:0/20:0/20:4(8Z,11Z,14Z,17Z)) C63H114O6 JVDSXKOHBLWGIM-ZAUMMMGXSA-N +HMDB0045603 964.845891326 TG(20:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H112O6 ZKCPJGUEGWADAV-MOJDRSRPSA-N +HMDB0045610 916.845891326 TG(20:0/22:0/14:1(9Z)) C59H112O6 WJSBURXJPCGRCH-AAABZKSKSA-N +HMDB0045612 972.908491584 TG(20:0/22:0/18:1(11Z)) C63H120O6 VZNQKMLGTXDQIH-RXNSVRMPSA-N +HMDB0045613 972.908491584 TG(20:0/22:0/18:1(9Z)) C63H120O6 KIOWNTIUPBZKFY-YAOUCAOSSA-N +HMDB0045618 970.89284152 TG(20:0/22:0/18:2(9Z,12Z)) C63H118O6 YITUAXAQLSWWNX-GZBHRQIQSA-N +HMDB0045619 968.877191455 TG(20:0/22:0/18:3(6Z,9Z,12Z)) C63H116O6 HRIZOSOLJUQKSO-RKJQRDPNSA-N +HMDB0045626 968.877191455 TG(20:0/22:0/18:3(9Z,12Z,15Z)) C63H116O6 UXLOFYOLOKXYAP-SRUIGVKTSA-N +HMDB0045627 966.861541391 TG(20:0/22:0/18:4(6Z,9Z,12Z,15Z)) C63H114O6 ALFAYLAQUMDHCM-LHFRGBNGSA-N +HMDB0045637 972.908491584 TG(20:0/24:0/16:1(9Z)) C63H120O6 FOUWGWGSPVWLRF-RXNSVRMPSA-N +HMDB0045659 888.814591188 TG(20:0/14:1(9Z)/20:0) C57H108O6 XNLCSBIDDKARLA-SDXDJHTJSA-N +HMDB0045660 916.845891326 TG(20:0/14:1(9Z)/22:0) C59H112O6 SSQAVJZOEYXKJM-YCJNRUSJSA-N +HMDB0045667 882.767641004 TG(20:0/14:1(9Z)/20:3(5Z,8Z,11Z)) C57H102O6 HLPJZXVCHWKDNK-RPVBRVSLSA-N +HMDB0045668 914.830241262 TG(20:0/14:1(9Z)/22:1(13Z)) C59H110O6 HWPRTUFRMUOZLY-AZKDRWSUSA-N +HMDB0045669 942.861541391 TG(20:0/14:1(9Z)/24:1(15Z)) C61H114O6 SBZHRFMQIXHJRW-GWPMROEHSA-N +HMDB0045670 856.75199094 TG(20:0/14:1(9Z)/18:2(9Z,12Z)) C55H100O6 SGNGDCVKDGTDQC-MMLIVBKMSA-N +HMDB0045672 884.783291069 TG(20:0/14:1(9Z)/20:2n6) C57H104O6 NFCQXICLNHGVGZ-VZKMDISCSA-N +HMDB0045673 882.767641004 TG(20:0/14:1(9Z)/20:3n6) C57H102O6 ZXXXFPVLDMZBCA-BJTIWZRUSA-N +HMDB0045674 880.751990932 TG(20:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C57H100O6 GWNUSEKGRALKED-IBFIZYGQSA-N +HMDB0045679 852.720690811 TG(20:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C55H96O6 GRVZQIMVHTZJHB-FDIDEQADSA-N +HMDB0045680 880.75199094 TG(20:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C57H100O6 UHJOVPMFQXZMGP-HFCNGZNYSA-N +HMDB0045685 916.845891316 TG(20:0/16:1(9Z)/20:0) C59H112O6 VNHABZLRSOJWDZ-FLFQWRMESA-N +HMDB0045687 972.908491584 TG(20:0/16:1(9Z)/24:0) C63H120O6 HGCINVBTERQPJG-VZKFWILHSA-N +HMDB0045692 914.830241262 TG(20:0/16:1(9Z)/20:1(11Z)) C59H110O6 CWYJHSJCZIYZKB-HVYAKTSASA-N +HMDB0045694 942.861541391 TG(20:0/16:1(9Z)/22:1(13Z)) C61H114O6 SQGUGCCVMDVBJZ-RHKJSXQCSA-N +HMDB0045695 970.89284152 TG(20:0/16:1(9Z)/24:1(15Z)) C63H118O6 WPQGJCCBOJSBDL-ZCSYOJTKSA-N +HMDB0045696 884.783291069 TG(20:0/16:1(9Z)/18:2(9Z,12Z)) C57H104O6 BXZBVJMLHIMPCY-YNTROPROSA-N +HMDB0045697 882.767641004 TG(20:0/16:1(9Z)/18:3(6Z,9Z,12Z)) C57H102O6 OCSXULFZMSSXID-HISUVNPSSA-N +HMDB0045701 940.845891326 TG(20:0/16:1(9Z)/22:2(13Z,16Z)) C61H112O6 NIFYGEMZMKSOKK-TXAPXYFQSA-N +HMDB0045704 882.767641004 TG(20:0/16:1(9Z)/18:3(9Z,12Z,15Z)) C57H102O6 RHCHGASZNFDFNT-GBISFHARSA-N +HMDB0045705 880.75199094 TG(20:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C57H100O6 IZLQMMZWIGPZNX-UMCZRHFJSA-N +HMDB0045710 874.835326642 TG(20:0/16:1(9Z)/o-18:0) C57H110O5 NFECCYXCUXSJJQ-AYMZKUIOSA-N +HMDB0045712 972.908491584 TG(20:0/18:1(11Z)/22:0) C63H120O6 JBGIIZRJUJAGJD-VZKFWILHSA-N +HMDB0045716 914.830241262 TG(20:0/18:1(11Z)/18:1(11Z)) C59H110O6 GYPCYQZGNPPXQY-ZLUYPCRLSA-N +HMDB0045717 914.830241262 TG(20:0/18:1(11Z)/18:1(9Z)) C59H110O6 DSLDDCZRINWODJ-XQZFORPWSA-N +HMDB0045718 942.861541391 TG(20:0/18:1(11Z)/20:1(11Z)) C61H114O6 WHMKXKHZNZAKLF-XXRULANTSA-N +HMDB0045719 938.830241262 TG(20:0/18:1(11Z)/20:3(5Z,8Z,11Z)) C61H110O6 YMNDWXQHOZTTQG-DBPNIQDOSA-N +HMDB0045720 970.89284152 TG(20:0/18:1(11Z)/22:1(13Z)) C63H118O6 ONAJSAYDJRBCNQ-WCGXTGDWSA-N +HMDB0045724 940.845891326 TG(20:0/18:1(11Z)/20:2n6) C61H112O6 WNFYWKVDGNONSX-XXMUPYQTSA-N +HMDB0045725 938.830241262 TG(20:0/18:1(11Z)/20:3n6) C61H110O6 JWRLQVQWCRUWFY-GKGBZLNTSA-N +HMDB0045727 968.877191455 TG(20:0/18:1(11Z)/22:2(13Z,16Z)) C63H116O6 MJLWCZOZMFQAGA-LTSCPUBNSA-N +HMDB0045728 964.845891326 TG(20:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C63H112O6 YIENLPUFSVQUCG-QUTOEGKMSA-N +HMDB0045729 962.830241262 TG(20:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H110O6 OUVOMMBEDVUBQG-ZXZGDFTBSA-N +HMDB0045734 962.830241262 TG(20:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H110O6 QYDFSMCMLCRFHQ-CTDBYVDHSA-N +HMDB0045736 902.866626771 TG(20:0/18:1(11Z)/o-18:0) C59H114O5 TWOFGMYMSNEEJX-COAUFNLESA-N +HMDB0045738 972.908491584 TG(20:0/18:1(9Z)/22:0) C63H120O6 GTQFAXDJIANZMD-JWYLQQGLSA-N +HMDB0045742 914.830241262 TG(20:0/18:1(9Z)/18:1(11Z)) C59H110O6 XPLCSZBQAQAYRD-KMMAEHPZSA-N +HMDB0045743 914.830241252 TG(20:0/18:1(9Z)/18:1(9Z)) C59H110O6 JFKGKULDMWLHEK-KMERLIGUSA-N +HMDB0045744 942.861541391 TG(20:0/18:1(9Z)/20:1(11Z)) C61H114O6 UKGTYUIMAQPUNI-WLPFSFTESA-N +HMDB0045745 938.830241262 TG(20:0/18:1(9Z)/20:3(5Z,8Z,11Z)) C61H110O6 OEUMFZWSMUCXBP-UTCXMCAGSA-N +HMDB0045746 970.89284152 TG(20:0/18:1(9Z)/22:1(13Z)) C63H118O6 WKGFMQTYNRBSTK-IZQICMPYSA-N +HMDB0045750 940.845891326 TG(20:0/18:1(9Z)/20:2n6) C61H112O6 SJSPRNUEKGVEFR-JPFWVNQASA-N +HMDB0045751 938.830241262 TG(20:0/18:1(9Z)/20:3n6) C61H110O6 ASPJACHPVRBOQP-NSOWXUSTSA-N +HMDB0045753 968.877191455 TG(20:0/18:1(9Z)/22:2(13Z,16Z)) C63H116O6 BWVMXRNTJKNLIG-VQWJJQQVSA-N +HMDB0045754 964.845891326 TG(20:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C63H112O6 MRZUKESUWGFNGN-FKMGPEFTSA-N +HMDB0045755 962.830241262 TG(20:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H110O6 NLINQQFDCCGNFE-GRHYHTISSA-N +HMDB0045760 962.830241262 TG(20:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H110O6 HLJUWCMJURHSAS-WEMJJBFYSA-N +HMDB0045762 902.866626771 TG(20:0/18:1(9Z)/o-18:0) C59H114O5 VRZHAFWZMYJZMD-LKKPSHJRSA-N +HMDB0045763 972.908491572 TG(20:0/20:1(11Z)/20:0) C63H120O6 VNTAEBMTULPOLY-IKPAITLHSA-N +HMDB0045767 914.830241262 TG(20:0/20:1(11Z)/16:1(9Z)) C59H110O6 ITRVDAWLKSPAKB-JINDPDDHSA-N +HMDB0045768 942.861541391 TG(20:0/20:1(11Z)/18:1(11Z)) C61H114O6 GOUXXLWMYYBHCM-BQAVMZEMSA-N +HMDB0045769 942.861541391 TG(20:0/20:1(11Z)/18:1(9Z)) C61H114O6 TZJRCHMRWDMDSJ-XQXNXHJYSA-N +HMDB0045771 966.861541391 TG(20:0/20:1(11Z)/20:3(5Z,8Z,11Z)) C63H114O6 RONZIXSUBRLVHU-NLUMJYANSA-N +HMDB0045774 940.845891326 TG(20:0/20:1(11Z)/18:2(9Z,12Z)) C61H112O6 FBQQXRDCPOBIQG-FQNAFWLOSA-N +HMDB0045775 938.830241262 TG(20:0/20:1(11Z)/18:3(6Z,9Z,12Z)) C61H110O6 IRPLNLXEUHFALC-FPAGBCFASA-N +HMDB0045776 968.877191455 TG(20:0/20:1(11Z)/20:2n6) C63H116O6 IBYMEWUNOCTTRG-RFPMTUJLSA-N +HMDB0045777 966.861541391 TG(20:0/20:1(11Z)/20:3n6) C63H114O6 JXVMBJGBROTCFP-AIMUIAEOSA-N +HMDB0045782 938.830241262 TG(20:0/20:1(11Z)/18:3(9Z,12Z,15Z)) C61H110O6 GYBHIADXUHHABV-PWKHAILISA-N +HMDB0045784 964.845891326 TG(20:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C63H112O6 JCKZVXSFNAILPO-YCFXLCDASA-N +HMDB0045785 962.830241262 TG(20:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H110O6 IULQMBPZWYNZEZ-KZPSUCHSSA-N +HMDB0045789 968.877191444 TG(20:0/20:3(5Z,8Z,11Z)/20:0) C63H116O6 PVLPTPLTYBYKPQ-CIBUDVKLSA-N +HMDB0045792 882.767641004 TG(20:0/20:3(5Z,8Z,11Z)/14:1(9Z)) C57H102O6 IQHVYGKMAJFIAG-UDNSWGMWSA-N +HMDB0045794 938.830241262 TG(20:0/20:3(5Z,8Z,11Z)/18:1(11Z)) C61H110O6 SNADIPNNRGNXJQ-LDZBZALLSA-N +HMDB0045795 938.830241262 TG(20:0/20:3(5Z,8Z,11Z)/18:1(9Z)) C61H110O6 UBKZOPGBBSBRBG-YBYPFBBNSA-N +HMDB0045796 966.861541391 TG(20:0/20:3(5Z,8Z,11Z)/20:1(11Z)) C63H114O6 PTBZUJYXYHDLML-MRMDCCRFSA-N +HMDB0045797 962.830241262 TG(20:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) C63H110O6 OUVCXSDTWMPGJT-VJGZYCBRSA-N +HMDB0045802 964.845891326 TG(20:0/20:3(5Z,8Z,11Z)/20:2n6) C63H112O6 KJJSZLIZMYZLOM-MPDWUWBESA-N +HMDB0045803 962.830241262 TG(20:0/20:3(5Z,8Z,11Z)/20:3n6) C63H110O6 DIKJEMPGNQDBCI-QANQIHCHSA-N +HMDB0045811 958.798941133 TG(20:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 USSQANBAQNQTNC-MFLWDYDXSA-N +HMDB0045814 926.866626771 TG(20:0/20:3(5Z,8Z,11Z)/o-18:0) C61H114O5 IIYQJRSPWUCSDM-WBDMOENVSA-N +HMDB0045818 914.830241262 TG(20:0/22:1(13Z)/14:1(9Z)) C59H110O6 SLVVTLNMFWVJDL-HYQPEPIUSA-N +HMDB0045819 942.861541391 TG(20:0/22:1(13Z)/16:1(9Z)) C61H114O6 LNRRWLSKAQDUBR-GDBZVGQESA-N +HMDB0045820 970.89284152 TG(20:0/22:1(13Z)/18:1(11Z)) C63H118O6 LDNPYIZUVHLDLV-YKBWBIOFSA-N +HMDB0045821 970.89284152 TG(20:0/22:1(13Z)/18:1(9Z)) C63H118O6 FOOGDTKNQFZILE-ICJFQMIVSA-N +HMDB0045826 968.877191455 TG(20:0/22:1(13Z)/18:2(9Z,12Z)) C63H116O6 SBRSQEIFWNUOMV-LIPCYRNNSA-N +HMDB0045827 966.861541391 TG(20:0/22:1(13Z)/18:3(6Z,9Z,12Z)) C63H114O6 RRCHFUDCOMJONU-SFBWWLFMSA-N +HMDB0045834 966.861541391 TG(20:0/22:1(13Z)/18:3(9Z,12Z,15Z)) C63H114O6 SFWGKPGCJSVXCM-HWMIBPLFSA-N +HMDB0045835 964.845891326 TG(20:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z)) C63H112O6 ZVAZRCNQDGGHIY-LRVAFUCOSA-N +HMDB0045840 958.929227028 TG(20:0/22:1(13Z)/o-18:0) C63H122O5 CLLQMHIUPLJSCO-NYRYLARASA-N +HMDB0045844 942.861541391 TG(20:0/24:1(15Z)/14:1(9Z)) C61H114O6 ALNNHOFYSWAINZ-VGBMWCSKSA-N +HMDB0045845 970.89284152 TG(20:0/24:1(15Z)/16:1(9Z)) C63H118O6 DIWDNTROQQFMKS-OUQKOPBSSA-N +HMDB0045867 942.861541391 TG(20:0/18:2(9Z,12Z)/20:0) C61H114O6 CGYUWASKRWCFSH-GQHREOFGSA-N +HMDB0045868 970.89284152 TG(20:0/18:2(9Z,12Z)/22:0) C63H118O6 OEZPDJIPJQTNAB-NICHQRLMSA-N +HMDB0045870 856.75199094 TG(20:0/18:2(9Z,12Z)/14:1(9Z)) C55H100O6 SESIDPZYQNXGDB-MMLIVBKMSA-N +HMDB0045871 884.78329106 TG(20:0/18:2(9Z,12Z)/16:1(9Z)) C57H104O6 MSQBYCWSXAUJHK-YNTROPROSA-N +HMDB0045874 940.845891326 TG(20:0/18:2(9Z,12Z)/20:1(11Z)) C61H112O6 FHUKVTWUCRMUNV-MSTBSTCSSA-N +HMDB0045876 968.877191455 TG(20:0/18:2(9Z,12Z)/22:1(13Z)) C63H116O6 BMLXKVIKPFXMLY-BHDVDUMOSA-N +HMDB0045880 938.830241262 TG(20:0/18:2(9Z,12Z)/20:2n6) C61H110O6 UOXUZNWTFAUUEA-WFPLXBQESA-N +HMDB0045883 966.861541391 TG(20:0/18:2(9Z,12Z)/22:2(13Z,16Z)) C63H114O6 LUAVDZZOBREHQN-JBYCBOJFSA-N +HMDB0045884 962.830241262 TG(20:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C63H110O6 MYYKNWKDBLPJRV-XBEKDICWSA-N +HMDB0045891 958.798941133 TG(20:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H106O6 JIWBKNDEFSQJBT-OAQBWKPISA-N +HMDB0045892 900.850976706 TG(20:0/18:2(9Z,12Z)/o-18:0) C59H112O5 KUWZMMMTHHIVEK-KLWJSLDDSA-N +HMDB0045893 940.845891316 TG(20:0/18:3(6Z,9Z,12Z)/20:0) C61H112O6 JZQMWAXRJJGBMX-WROZEIRXSA-N +HMDB0045894 968.877191455 TG(20:0/18:3(6Z,9Z,12Z)/22:0) C63H116O6 ZYPBECLJEJXDCU-AQTWNSRJSA-N +HMDB0045897 882.767641004 TG(20:0/18:3(6Z,9Z,12Z)/16:1(9Z)) C57H102O6 CDDMLDFHOOIDDR-IKVHAPJZSA-N +HMDB0045900 938.830241262 TG(20:0/18:3(6Z,9Z,12Z)/20:1(11Z)) C61H110O6 VCXHGFGBKAVNAO-DMIGSALDSA-N +HMDB0045902 966.861541391 TG(20:0/18:3(6Z,9Z,12Z)/22:1(13Z)) C63H114O6 JZMNYGXVOKIZHI-GPBWOOLGSA-N +HMDB0045909 964.845891326 TG(20:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z)) C63H112O6 AXLMYDXBLLUOLF-VGYLXPOGSA-N +HMDB0045911 958.798941133 TG(20:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H106O6 HHWHJJSODCDUKU-RAFXBCCRSA-N +HMDB0045916 958.798941133 TG(20:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H106O6 BFPUBWJKTOCMTE-UNFRKOAOSA-N +HMDB0045917 956.783291069 TG(20:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H104O6 FKRMVRADOUUIPO-BEJNYGOSSA-N +HMDB0045919 970.89284152 TG(20:0/20:2n6/20:0) C63H118O6 IBEVRNHIOSXUJJ-QYIMKBBWSA-N +HMDB0045922 884.783291069 TG(20:0/20:2n6/14:1(9Z)) C57H104O6 SNGHDWHBYJYQOD-MERPXKMWSA-N +HMDB0045924 940.845891326 TG(20:0/20:2n6/18:1(11Z)) C61H112O6 MGIUZRTVYUQICM-HNMAWCJTSA-N +HMDB0045925 940.845891326 TG(20:0/20:2n6/18:1(9Z)) C61H112O6 MZHAAEGBTAPSRS-CSLDUXSGSA-N +HMDB0045926 968.877191455 TG(20:0/20:2n6/20:1(11Z)) C63H116O6 IPHBLBUBXCJBLT-KMNGGDODSA-N +HMDB0045927 964.845891326 TG(20:0/20:2n6/20:3(5Z,8Z,11Z)) C63H112O6 BTSUUUCAWHHMAG-DPRBZWBHSA-N +HMDB0045930 938.830241262 TG(20:0/20:2n6/18:2(9Z,12Z)) C61H110O6 SKWZGEDXJHKPTI-XLLOAUBSSA-N +HMDB0045932 966.861541391 TG(20:0/20:2n6/20:2n6) C63H114O6 GPIFUYLJOSZBCL-HTVZBKGESA-N +HMDB0045933 964.845891326 TG(20:0/20:2n6/20:3n6) C63H112O6 DTHQVLKUDRJNSH-NXEMOPDZSA-N +HMDB0045934 962.830241262 TG(20:0/20:2n6/20:4(5Z,8Z,11Z,14Z)) C63H110O6 CQJJJRSFXVFAMI-NSTNRODUSA-N +HMDB0045940 962.830241262 TG(20:0/20:2n6/20:4(8Z,11Z,14Z,17Z)) C63H110O6 NFLOZGHSXUQYSV-KQNQSDKTSA-N +HMDB0045944 928.882276835 TG(20:0/20:2n6/o-18:0) C61H116O5 SSWFQDYDESJLBB-LSMSGGNSSA-N +HMDB0045945 968.877191444 TG(20:0/20:3n6/20:0) C63H116O6 WHPQOGDRBOSGRN-BXDHOHHHSA-N +HMDB0045948 882.767641004 TG(20:0/20:3n6/14:1(9Z)) C57H102O6 RIYWVWTTXYWHMA-ZGQSWRPTSA-N +HMDB0045950 938.830241262 TG(20:0/20:3n6/18:1(11Z)) C61H110O6 FVMACQWBKCZBMW-ZVXIZCQFSA-N +HMDB0045951 938.830241262 TG(20:0/20:3n6/18:1(9Z)) C61H110O6 LKEZCTFABVCKSM-KZFKNQCPSA-N +HMDB0045952 966.861541391 TG(20:0/20:3n6/20:1(11Z)) C63H114O6 HHBLSXUEUXTLMG-KUAATXCESA-N +HMDB0045953 962.830241262 TG(20:0/20:3n6/20:3(5Z,8Z,11Z)) C63H110O6 ZYOOKRFWFUJQTP-ULCJBQRKSA-N +HMDB0045958 964.845891326 TG(20:0/20:3n6/20:2n6) C63H112O6 UCBIXYZFPRNBNY-CTNQNIPZSA-N +HMDB0045959 962.830241262 TG(20:0/20:3n6/20:3n6) C63H110O6 KRGKEXOYBMAEQS-UWCJCWLGSA-N +HMDB0045967 958.798941133 TG(20:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 DEGARZFHWKYSKY-QTOSBFDXSA-N +HMDB0045970 926.866626771 TG(20:0/20:3n6/o-18:0) C61H114O5 XHJNGKVAWYWMEF-GZVBRPQDSA-N +HMDB0045971 966.86154138 TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:0) C63H114O6 MUIBFWWHJKHTDU-KIEMYMGWSA-N +HMDB0045974 880.75199094 TG(20:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z)) C57H100O6 ZTJPQTLPMOYUAV-OXAINDMCSA-N +HMDB0045978 964.845891326 TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z)) C63H112O6 COPQYDANMKTRTJ-MMKHNJGRSA-N +HMDB0045984 962.830241262 TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:2n6) C63H110O6 QHKBTFROAVQQIT-GZXVBDGESA-N +HMDB0045992 958.798941133 TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) C63H106O6 AYHWSRWXZGTAJR-WUBDYHLFSA-N +HMDB0045993 956.783291069 TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 NPDFCHHIYFJVGQ-AVKTVSHKSA-N +HMDB0045996 924.850976706 TG(20:0/20:4(5Z,8Z,11Z,14Z)/o-18:0) C61H112O5 XDOAVAFFHWQIBZ-RFGSMKNJSA-N +HMDB0046001 940.845891326 TG(20:0/22:2(13Z,16Z)/16:1(9Z)) C61H112O6 MXJKXYIXCLMTJO-RGVXWQHYSA-N +HMDB0046002 968.877191455 TG(20:0/22:2(13Z,16Z)/18:1(11Z)) C63H116O6 ZTFSXTDCVHSWOS-AJSIEYOUSA-N +HMDB0046003 968.877191455 TG(20:0/22:2(13Z,16Z)/18:1(9Z)) C63H116O6 JLVBPNSIUBYKIC-JMGAOAHESA-N +HMDB0046008 966.861541391 TG(20:0/22:2(13Z,16Z)/18:2(9Z,12Z)) C63H114O6 XIXBCMGXHNLMTN-MGRJRRHCSA-N +HMDB0046009 964.845891326 TG(20:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z)) C63H112O6 YNIZWWNPCWHUTQ-GGMHQFBZSA-N +HMDB0046016 964.845891326 TG(20:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z)) C63H112O6 OUDWFYHOJFIKDR-QUDRZTQTSA-N +HMDB0046017 962.830241262 TG(20:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C63H110O6 JBFKNCWBKFPUIY-STHNRUHZSA-N +HMDB0046022 956.913576964 TG(20:0/22:2(13Z,16Z)/o-18:0) C63H120O5 IYNVHYKXELZPNC-MBBOPVOTSA-N +HMDB0046028 964.845891326 TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z)) C63H112O6 GIMZLHBKBDWKNT-NRIMDGPCSA-N +HMDB0046029 964.845891326 TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z)) C63H112O6 RFCDSMPUWNZUFI-AZWVIMOPSA-N +HMDB0046034 962.830241262 TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) C63H110O6 ACGHXTVLDFHATI-JJQYKMTCSA-N +HMDB0046043 958.798941133 TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C63H106O6 UJZIJWWJEILDEY-WXPCSILISA-N +HMDB0046048 952.882276835 TG(20:0/22:4(7Z,10Z,13Z,16Z)/o-18:0) C63H116O5 SFRHUFVHFRPPOS-GUBGQLFOSA-N +HMDB0046054 962.830241262 TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)) C63H110O6 GEYBFTLZFGOMLS-UARABLDKSA-N +HMDB0046055 962.830241262 TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)) C63H110O6 XIMVAXPQXRCQDC-DBBMJRQSSA-N +HMDB0046061 958.798941133 TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) C63H106O6 MOPJMQJQXVNKMM-VZZXKGMBSA-N +HMDB0046068 958.798941133 TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C63H106O6 AMLVLGGTLWUONM-RRWYFFCASA-N +HMDB0046069 956.783291069 TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C63H104O6 DIKFYIAWOURXLG-GORHZOPMSA-N +HMDB0046074 950.866626771 TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0) C63H114O5 BQXBXQMXXNQSMI-BMMDOFMQSA-N +HMDB0046075 940.845891316 TG(20:0/18:3(9Z,12Z,15Z)/20:0) C61H112O6 BBEXOEBBZPQUND-RJROPJSDSA-N +HMDB0046076 968.877191455 TG(20:0/18:3(9Z,12Z,15Z)/22:0) C63H116O6 LPFMURDWEDJXOF-MIKSAASRSA-N +HMDB0046079 882.767641004 TG(20:0/18:3(9Z,12Z,15Z)/16:1(9Z)) C57H102O6 HLTSKBNGPCVUQB-GBISFHARSA-N +HMDB0046082 938.830241262 TG(20:0/18:3(9Z,12Z,15Z)/20:1(11Z)) C61H110O6 XGCJOJLDYHICIU-VSVWVITESA-N +HMDB0046084 966.861541391 TG(20:0/18:3(9Z,12Z,15Z)/22:1(13Z)) C63H114O6 DKUNFLKMWAUNDY-XLDBSBOMSA-N +HMDB0046091 964.845891326 TG(20:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z)) C63H112O6 IGGJZLJGRRYFIM-MDNDJFNRSA-N +HMDB0046093 958.798941133 TG(20:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H106O6 BHRCZYGYXNQZMA-VMZQIZTASA-N +HMDB0046098 958.798941133 TG(20:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H106O6 ZBIXPXAIQGNOJR-CUUYKELTSA-N +HMDB0046099 956.783291069 TG(20:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H104O6 XIQRFKNFMFEAKD-DTNNTXARSA-N +HMDB0046101 938.830241252 TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:0) C61H110O6 BPWFSTBTZXCPDN-GXWIXYFISA-N +HMDB0046102 966.861541391 TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:0) C63H114O6 PPUMGRJWTDYAJJ-BCPBRTCFSA-N +HMDB0046104 852.720690811 TG(20:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z)) C55H96O6 AYBNKZOBZIRMHJ-WCCWLRMCSA-N +HMDB0046105 880.75199094 TG(20:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z)) C57H100O6 ZTNCEOWHIGXJAM-CAYPXVCWSA-N +HMDB0046110 964.845891326 TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z)) C63H112O6 QMDVGDLZLSCJAH-WAECXLMDSA-N +HMDB0046117 962.830241262 TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)) C63H110O6 OIBLFFKYXAHRDW-PWDULKBFSA-N +HMDB0046118 958.798941133 TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) C63H106O6 QOVOXGFLQUWOCD-SKYIGCTFSA-N +HMDB0046119 956.783291069 TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H104O6 JRUAJAMOWZTEMR-NQCJURAZSA-N +HMDB0046124 956.783291069 TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 VOIUMMLAPMMRMR-FONKPBJWSA-N +HMDB0046125 954.767641004 TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 FUSFZXIXQUQAAT-ARAUNSSXSA-N +HMDB0046127 966.86154138 TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:0) C63H114O6 ALYVJOCNZCAWSV-QWZXXBLSSA-N +HMDB0046130 880.75199094 TG(20:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z)) C57H100O6 UMZQUOZZVLDATH-FCTVMWBXSA-N +HMDB0046134 964.845891326 TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z)) C63H112O6 MVZVFFWLMVHSMR-GMQUXJIXSA-N +HMDB0046140 962.830241262 TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:2n6) C63H110O6 NEVHLARDZQWNDN-ZFYLZMJQSA-N +HMDB0046142 958.798941133 TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) C63H106O6 FACDAQXMPKTFRQ-SDRVTRRESA-N +HMDB0046148 958.798941133 TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C63H106O6 OSJAITDJSAAPCD-BJFZWASFSA-N +HMDB0046149 956.783291069 TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 NTQFVICUXZMCHT-XSODUGAPSA-N +HMDB0046152 924.850976706 TG(20:0/20:4(8Z,11Z,14Z,17Z)/o-18:0) C61H112O5 VWISUFHDQBBLJZ-QHOGBMJCSA-N +HMDB0046153 964.845891316 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0) C63H112O6 ZFWLBSAZUANAAS-PBXDZALFSA-N +HMDB0046160 962.830241262 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)) C63H110O6 WIMOTPNOOSOQHS-SQVGUTRSSA-N +HMDB0046161 958.798941133 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) C63H106O6 GEHPSFWUFSXURT-CBDFWBFOSA-N +HMDB0046167 958.798941133 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6) C63H106O6 JUJSCXCFHLKMAG-XOZROWQMSA-N +HMDB0046168 956.783291069 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) C63H104O6 KBDPPMIATBCOMG-IRNKZLHESA-N +HMDB0046174 956.783291069 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C63H104O6 HBEVIJGDUHOPDQ-IKOSZMCSSA-N +HMDB0046175 954.767641004 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 VJVMHCYTENEWNN-ZXFARNTQSA-N +HMDB0046177 980.783291069 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 NGKSSGSZKCGACO-LLLFLALWSA-N +HMDB0046184 962.830241262 TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) C63H110O6 IFBNXRASQCUYMI-VXEJXGLMSA-N +HMDB0046185 962.830241262 TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) C63H110O6 HMRPHEFZYARYNZ-MMZAMPIZSA-N +HMDB0046191 958.798941133 TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) C63H106O6 BPDREBISDHEJBG-XPOREUEJSA-N +HMDB0046198 958.798941133 TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C63H106O6 FGCRNQQTWMCHBU-OAWAPQENSA-N +HMDB0046199 956.783291069 TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C63H104O6 PUGGWLRJISRKED-HXJIIFRWSA-N +HMDB0046204 950.866626771 TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0) C63H114O5 FXPIYBNAKLGETL-UTVLKCAYSA-N +HMDB0046216 958.798941133 TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) C63H106O6 GJTXTGACCVJFCY-WXORGEGGSA-N +HMDB0046217 956.783291069 TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) C63H104O6 JASRGXRLHMKFMV-FRAUDBJISA-N +HMDB0046224 956.783291069 TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C63H104O6 IILFLPTWCQUCBF-JXJKYVJMSA-N +HMDB0046225 954.767641004 TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C63H102O6 JYPCPBKGHFDBQX-DJDNCNAFSA-N +HMDB0046227 980.783291069 TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H104O6 QSDDUOAVUDULFV-WFLXKTIRSA-N +HMDB0046230 948.850976706 TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0) C63H112O5 HLBJXGSSXOWJNK-XQIDWFEWSA-N +HMDB0046235 874.835326642 TG(20:0/o-18:0/16:1(9Z)) C57H110O5 ZRKRTZFYHUBTQQ-AYMZKUIOSA-N +HMDB0046236 902.866626771 TG(20:0/o-18:0/18:1(11Z)) C59H114O5 UKQZYMLCKHOSTG-COAUFNLESA-N +HMDB0046237 902.866626771 TG(20:0/o-18:0/18:1(9Z)) C59H114O5 MTMFSFJLPCNPOI-LKKPSHJRSA-N +HMDB0046239 926.866626771 TG(20:0/o-18:0/20:3(5Z,8Z,11Z)) C61H114O5 DPXCUHXDCAZRMD-VFADWVNGSA-N +HMDB0046240 958.929227028 TG(20:0/o-18:0/22:1(13Z)) C63H122O5 ZIDPGXBTSKOGRO-SBOILKGHSA-N +HMDB0046242 900.850976706 TG(20:0/o-18:0/18:2(9Z,12Z)) C59H112O5 CZOALYUQVVTJLR-KLWJSLDDSA-N +HMDB0046244 928.882276835 TG(20:0/o-18:0/20:2n6) C61H116O5 ZAQWCHTYSYNWSH-UWVPRLFQSA-N +HMDB0046245 926.866626771 TG(20:0/o-18:0/20:3n6) C61H114O5 ZJDHSVUVYJSBGX-HIVQLAITSA-N +HMDB0046246 924.850976706 TG(20:0/o-18:0/20:4(5Z,8Z,11Z,14Z)) C61H112O5 FHLGAKXGDKAPGG-KBFGIVFISA-N +HMDB0046247 956.913576964 TG(20:0/o-18:0/22:2(13Z,16Z)) C63H120O5 KBOXWJNBWNAPDL-OSIVHGPASA-N +HMDB0046248 952.882276835 TG(20:0/o-18:0/22:4(7Z,10Z,13Z,16Z)) C63H116O5 OIZMVBWGKIPHII-SQJZZZAOSA-N +HMDB0046249 950.866626771 TG(20:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H114O5 XTVWCEQQMYEOJZ-SOIYDMAESA-N +HMDB0046252 924.850976706 TG(20:0/o-18:0/20:4(8Z,11Z,14Z,17Z)) C61H112O5 VVNNBLZFSZUXRC-PNXODHRNSA-N +HMDB0046254 950.866626771 TG(20:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H114O5 JSBGTMPZZRTBBA-BKJFYFMPSA-N +HMDB0046255 948.850976706 TG(20:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H112O5 DPGIVBQTWYXEKO-FRQRDVANSA-N +HMDB0046260 888.814591198 TG(22:0/14:0/18:1(11Z)) C57H108O6 NZPQRJJPGATRLU-WTNBXCFCSA-N +HMDB0046261 888.814591198 TG(22:0/14:0/18:1(9Z)) C57H108O6 AIUFGXSNPIPWDK-RGRWSSGASA-N +HMDB0046262 916.845891326 TG(22:0/14:0/20:1(11Z)) C59H112O6 NNJOIWXHONILSA-VXVUXWGWSA-N +HMDB0046265 972.908491584 TG(22:0/14:0/24:1(15Z)) C63H120O6 HEROZXQJPBVFAZ-HFGOSKLVSA-N +HMDB0046267 884.783291069 TG(22:0/14:0/18:3(6Z,9Z,12Z)) C57H104O6 FXJPVPHYLZUPPO-KTEJGUCTSA-N +HMDB0046268 914.830241262 TG(22:0/14:0/20:2n6) C59H110O6 VCTGTMSVVLORIT-QMIHDCNESA-N +HMDB0046271 942.861541391 TG(22:0/14:0/22:2(13Z,16Z)) C61H114O6 NDIASEVRLBWVRO-MEADVOAOSA-N +HMDB0046272 938.830241262 TG(22:0/14:0/22:4(7Z,10Z,13Z,16Z)) C61H110O6 HMVLLJGZOCQDFI-LIOPWZIDSA-N +HMDB0046274 884.783291069 TG(22:0/14:0/18:3(9Z,12Z,15Z)) C57H104O6 LKMMURDMXJRDKU-SZZNRBPJSA-N +HMDB0046275 882.767641004 TG(22:0/14:0/18:4(6Z,9Z,12Z,15Z)) C57H102O6 WFAJQYLYYSZBCZ-NJNIVTQZSA-N +HMDB0046292 898.798941133 TG(22:0/15:0/18:3(6Z,9Z,12Z)) C58H106O6 YTPRVRWPVFSOAL-MHPADUKNSA-N +HMDB0046299 898.798941133 TG(22:0/15:0/18:3(9Z,12Z,15Z)) C58H106O6 YFTFKGRPESIBQI-FNRWURKDSA-N +HMDB0046300 896.783291069 TG(22:0/15:0/18:4(6Z,9Z,12Z,15Z)) C58H104O6 ZSRZPVOHGXEPMJ-JYUNQQGZSA-N +HMDB0046309 888.814591198 TG(22:0/16:0/16:1(9Z)) C57H108O6 YKCVKNPTWXLRMR-WTNBXCFCSA-N +HMDB0046310 916.845891326 TG(22:0/16:0/18:1(11Z)) C59H112O6 LJWFWKJSUKWNCH-BUKBLQRKSA-N +HMDB0046311 916.845891326 TG(22:0/16:0/18:1(9Z)) C59H112O6 DNKJHSCCXVKXSU-VOLVXKCUSA-N +HMDB0046313 940.845891326 TG(22:0/16:0/20:3(5Z,8Z,11Z)) C61H112O6 XAXCHZWOFLFLPM-JOQVWQIOSA-N +HMDB0046314 972.908491584 TG(22:0/16:0/22:1(13Z)) C63H120O6 LHPFBXJMLHBPAN-NQFAIHCZSA-N +HMDB0046316 914.830241262 TG(22:0/16:0/18:2(9Z,12Z)) C59H110O6 MIWODFZGWMDPCD-GJDNKMPCSA-N +HMDB0046318 942.861541391 TG(22:0/16:0/20:2n6) C61H114O6 LVHNDABSHOYKAM-KZBHDBQSSA-N +HMDB0046319 940.845891326 TG(22:0/16:0/20:3n6) C61H112O6 QANJMRAWHCWEGS-WVTAUSKUSA-N +HMDB0046320 938.830241262 TG(22:0/16:0/20:4(5Z,8Z,11Z,14Z)) C61H110O6 VDFBIEOSCQDYJB-JSSUDYGASA-N +HMDB0046321 970.89284152 TG(22:0/16:0/22:2(13Z,16Z)) C63H118O6 RTYVZERQRRRYNE-FREZPLNNSA-N +HMDB0046322 966.861541391 TG(22:0/16:0/22:4(7Z,10Z,13Z,16Z)) C63H114O6 CYEYMUIZHDCNEQ-OCRKRECJSA-N +HMDB0046323 964.845891326 TG(22:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H112O6 LOUYJPLUAGKBFG-OVRZQIFDSA-N +HMDB0046326 938.830241262 TG(22:0/16:0/20:4(8Z,11Z,14Z,17Z)) C61H110O6 OWZRRACHZQKQKB-BVJSQKDDSA-N +HMDB0046328 964.845891326 TG(22:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H112O6 YXFXBGQKOCWXIW-SHFIIMMASA-N +HMDB0046329 962.830241262 TG(22:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H110O6 PSQNMLIGVNKGBS-QCRPGBDUSA-N +HMDB0046333 888.814591198 TG(22:0/18:0/14:1(9Z)) C57H108O6 VPROCYYUGRMDKB-IXHOOSMISA-N +HMDB0046334 916.845891326 TG(22:0/18:0/16:1(9Z)) C59H112O6 PLFFUZALKUXPFW-SZPKOVDMSA-N +HMDB0046337 972.908491584 TG(22:0/18:0/20:1(11Z)) C63H120O6 RDDJZUXEKOBRLD-MXRIWFMKSA-N +HMDB0046338 968.877191455 TG(22:0/18:0/20:3(5Z,8Z,11Z)) C63H116O6 SSQXIJLQGIDAIS-JYULCUDISA-N +HMDB0046341 942.861541391 TG(22:0/18:0/18:2(9Z,12Z)) C61H114O6 ZJYWYCGVUDBWGE-VSQDVKCVSA-N +HMDB0046342 940.845891326 TG(22:0/18:0/18:3(6Z,9Z,12Z)) C61H112O6 NGDYFTHZYYRYJI-VNYALLQPSA-N +HMDB0046343 970.89284152 TG(22:0/18:0/20:2n6) C63H118O6 CUYWPWQOJRQSCW-QSDYZZDBSA-N +HMDB0046344 968.877191455 TG(22:0/18:0/20:3n6) C63H116O6 IJOXAPFYWITIHW-JPDDOHNZSA-N +HMDB0046345 966.861541391 TG(22:0/18:0/20:4(5Z,8Z,11Z,14Z)) C63H114O6 JUAQGNVWXOALQO-DNANJBHKSA-N +HMDB0046349 940.845891326 TG(22:0/18:0/18:3(9Z,12Z,15Z)) C61H112O6 PEDXBSVTVPVYSP-HGUYPXMVSA-N +HMDB0046350 938.830241262 TG(22:0/18:0/18:4(6Z,9Z,12Z,15Z)) C61H110O6 NEHKBJPTASJPGS-RMFNYSRHSA-N +HMDB0046351 966.861541391 TG(22:0/18:0/20:4(8Z,11Z,14Z,17Z)) C63H114O6 WAWGLAWANXTROF-ZZMAYMJNSA-N +HMDB0046352 964.845891326 TG(22:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H112O6 LFKOJNRPJDKRCS-BCSLLQQQSA-N +HMDB0046358 916.845891326 TG(22:0/20:0/14:1(9Z)) C59H112O6 ODHWPZFGXIMZRL-AAABZKSKSA-N +HMDB0046360 972.908491584 TG(22:0/20:0/18:1(11Z)) C63H120O6 MFTJGJJGQONILX-RXNSVRMPSA-N +HMDB0046361 972.908491584 TG(22:0/20:0/18:1(9Z)) C63H120O6 QMGVAYGHMZTSEF-YAOUCAOSSA-N +HMDB0046366 970.89284152 TG(22:0/20:0/18:2(9Z,12Z)) C63H118O6 PXBQCSMXBDELKI-GZBHRQIQSA-N +HMDB0046367 968.877191455 TG(22:0/20:0/18:3(6Z,9Z,12Z)) C63H116O6 SRFZZMHOMJJKRR-RKJQRDPNSA-N +HMDB0046374 968.877191455 TG(22:0/20:0/18:3(9Z,12Z,15Z)) C63H116O6 JJWIHFDQAUJTKM-SRUIGVKTSA-N +HMDB0046375 966.861541391 TG(22:0/20:0/18:4(6Z,9Z,12Z,15Z)) C63H114O6 LAYMMGQEJTZXHH-LHFRGBNGSA-N +HMDB0046384 972.908491584 TG(22:0/22:0/16:1(9Z)) C63H120O6 JRIJXKUOTQILAX-RXNSVRMPSA-N +HMDB0046408 972.908491584 TG(22:0/24:0/14:1(9Z)) C63H120O6 JJHAIYBALUXLAQ-UMYTVORISA-N +HMDB0046432 972.908491584 TG(22:0/14:1(9Z)/24:0) C63H120O6 NIPVPXGEDBBOMK-XTKDRUTHSA-N +HMDB0046437 914.830241262 TG(22:0/14:1(9Z)/20:1(11Z)) C59H110O6 WIJRMMMSSQJMCO-OHQKQAFOSA-N +HMDB0046439 942.861541391 TG(22:0/14:1(9Z)/22:1(13Z)) C61H114O6 PWCZEZSCMQVPJQ-VGBMWCSKSA-N +HMDB0046440 970.89284152 TG(22:0/14:1(9Z)/24:1(15Z)) C63H118O6 MEEQUTNYZOELIE-BHTARXBPSA-N +HMDB0046441 884.783291069 TG(22:0/14:1(9Z)/18:2(9Z,12Z)) C57H104O6 VZQSJRZRVOMAEX-NTJLCKQPSA-N +HMDB0046442 882.767641004 TG(22:0/14:1(9Z)/18:3(6Z,9Z,12Z)) C57H102O6 NQZWUGZPCSPJEX-LRRPHUEISA-N +HMDB0046446 940.845891326 TG(22:0/14:1(9Z)/22:2(13Z,16Z)) C61H112O6 KJGHSPINRPPFIW-IBENIOHQSA-N +HMDB0046449 882.767641004 TG(22:0/14:1(9Z)/18:3(9Z,12Z,15Z)) C57H102O6 OYMKHLWGIUBLIM-ROXUKPIWSA-N +HMDB0046450 880.75199094 TG(22:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C57H100O6 UNKHDPXDHSBDOZ-BXAJSTJNSA-N +HMDB0046455 874.83532663 TG(22:0/14:1(9Z)/o-18:0) C57H110O5 BDPJRENIZGEJEP-SDXDJHTJSA-N +HMDB0046456 972.908491572 TG(22:0/16:1(9Z)/22:0) C63H120O6 RWKYSZZMYDKMMP-FLFQWRMESA-N +HMDB0046460 914.830241262 TG(22:0/16:1(9Z)/18:1(11Z)) C59H110O6 GJZLKYUSHJORNQ-ZLUYPCRLSA-N +HMDB0046461 914.830241262 TG(22:0/16:1(9Z)/18:1(9Z)) C59H110O6 CQGCPQNAYLDVOH-GIEBDLEXSA-N +HMDB0046462 942.861541391 TG(22:0/16:1(9Z)/20:1(11Z)) C61H114O6 JEEMXKLREVCFGB-ORAGRNPGSA-N +HMDB0046463 938.830241262 TG(22:0/16:1(9Z)/20:3(5Z,8Z,11Z)) C61H110O6 WOHMUGVGZMEZQE-ZJVQMEQSSA-N +HMDB0046464 970.89284152 TG(22:0/16:1(9Z)/22:1(13Z)) C63H118O6 XOPFKAUVUXZXGV-OUQKOPBSSA-N +HMDB0046468 940.845891326 TG(22:0/16:1(9Z)/20:2n6) C61H112O6 NGGZABQJVQPRCU-JFMOTOFNSA-N +HMDB0046469 938.830241262 TG(22:0/16:1(9Z)/20:3n6) C61H110O6 PTOBJPAOCFDZJO-IQNNNQAJSA-N +HMDB0046471 968.877191455 TG(22:0/16:1(9Z)/22:2(13Z,16Z)) C63H116O6 ZUIIFSXSZSIBCK-IURLQLJKSA-N +HMDB0046472 964.845891326 TG(22:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C63H112O6 UNUYEOWBNOUCHI-RLYBGMALSA-N +HMDB0046473 962.830241262 TG(22:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H110O6 REOIMVZEISKUHF-SHKLLSLUSA-N +HMDB0046478 962.830241262 TG(22:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H110O6 LGMIHDFKAMFZFO-BVDYWXALSA-N +HMDB0046480 902.866626771 TG(22:0/16:1(9Z)/o-18:0) C59H114O5 LFLULLQVQPKAMK-COAUFNLESA-N +HMDB0046484 914.830241262 TG(22:0/18:1(11Z)/16:1(9Z)) C59H110O6 JTMVEGQXRXTDQX-ZLUYPCRLSA-N +HMDB0046485 942.861541391 TG(22:0/18:1(11Z)/18:1(11Z)) C61H114O6 CDMARTCICGPDST-GMFCVOFDSA-N +HMDB0046486 942.861541391 TG(22:0/18:1(11Z)/18:1(9Z)) C61H114O6 YHILGYSICPKXAA-HAQNTTHJSA-N +HMDB0046487 970.89284152 TG(22:0/18:1(11Z)/20:1(11Z)) C63H118O6 WTCMNORLXBIXAX-NYLLBKPFSA-N +HMDB0046488 966.861541391 TG(22:0/18:1(11Z)/20:3(5Z,8Z,11Z)) C63H114O6 HOOIWTKANHPAOR-WFCJKOETSA-N +HMDB0046491 940.845891326 TG(22:0/18:1(11Z)/18:2(9Z,12Z)) C61H112O6 IIJVLTDWMAWLFO-IUDYXZLCSA-N +HMDB0046492 938.830241262 TG(22:0/18:1(11Z)/18:3(6Z,9Z,12Z)) C61H110O6 UDIKHJQTLDFGFW-LEVMJDGGSA-N +HMDB0046493 968.877191455 TG(22:0/18:1(11Z)/20:2n6) C63H116O6 GBUWYEPDQKOYKY-HQMLJKSRSA-N +HMDB0046494 966.861541391 TG(22:0/18:1(11Z)/20:3n6) C63H114O6 INCHZKMNHLHTMY-NVYNFKEVSA-N +HMDB0046495 964.845891326 TG(22:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C63H112O6 NBAGACYNMBHBAX-UCIKURBBSA-N +HMDB0046499 938.830241262 TG(22:0/18:1(11Z)/18:3(9Z,12Z,15Z)) C61H110O6 RFWZFNZBJZHWEA-VKCGIOIVSA-N +HMDB0046501 964.845891326 TG(22:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C63H112O6 JMEDNPXWSUSBMW-JWCUFUJSSA-N +HMDB0046502 962.830241262 TG(22:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H110O6 ZGKZBSSBZQXPKF-MTDAWVPLSA-N +HMDB0046509 914.830241252 TG(22:0/18:1(9Z)/16:1(9Z)) C59H110O6 LLZPZRGVBKFBKR-GIEBDLEXSA-N +HMDB0046510 942.861541391 TG(22:0/18:1(9Z)/18:1(11Z)) C61H114O6 FTFVPUBFVDVJAU-NJSMUVRASA-N +HMDB0046511 942.86154138 TG(22:0/18:1(9Z)/18:1(9Z)) C61H114O6 MAWRDGRSFXIWKV-PVNZSUHJSA-N +HMDB0046512 970.89284152 TG(22:0/18:1(9Z)/20:1(11Z)) C63H118O6 SLCSZUMZGXHZBR-QSGKUKMWSA-N +HMDB0046513 966.861541391 TG(22:0/18:1(9Z)/20:3(5Z,8Z,11Z)) C63H114O6 QQXNBQNXQFZRPW-JKNRJROESA-N +HMDB0046516 940.845891326 TG(22:0/18:1(9Z)/18:2(9Z,12Z)) C61H112O6 AMDSHUSILZVWMX-NSOUBCFQSA-N +HMDB0046517 938.830241262 TG(22:0/18:1(9Z)/18:3(6Z,9Z,12Z)) C61H110O6 OUGBFDBXTPQOJV-XAHZAFGXSA-N +HMDB0046518 968.877191455 TG(22:0/18:1(9Z)/20:2n6) C63H116O6 QYYNNMGUOXLSIN-IIFQMVJHSA-N +HMDB0046519 966.861541391 TG(22:0/18:1(9Z)/20:3n6) C63H114O6 QFXWHSAPDFXYOG-HPPVFJRISA-N +HMDB0046520 964.845891326 TG(22:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C63H112O6 YFHMHPUWCPHBQO-RXTVTRGASA-N +HMDB0046524 938.830241262 TG(22:0/18:1(9Z)/18:3(9Z,12Z,15Z)) C61H110O6 HNLMGPXMNLVNRF-NVQONJOPSA-N +HMDB0046526 964.845891326 TG(22:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C63H112O6 CZMBTAPVPVKAEQ-LJDQVSKQSA-N +HMDB0046527 962.830241262 TG(22:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H110O6 ICZNVYWIBUJKRO-KXDVIGTRSA-N +HMDB0046533 914.830241262 TG(22:0/20:1(11Z)/14:1(9Z)) C59H110O6 HZTVWEWLCFVURZ-OHQKQAFOSA-N +HMDB0046534 942.861541391 TG(22:0/20:1(11Z)/16:1(9Z)) C61H114O6 PKPAOZPHGVIQGC-ORAGRNPGSA-N +HMDB0046535 970.89284152 TG(22:0/20:1(11Z)/18:1(11Z)) C63H118O6 CFOWRVBCJCEHTO-NYLLBKPFSA-N +HMDB0046536 970.89284152 TG(22:0/20:1(11Z)/18:1(9Z)) C63H118O6 SEOQXFHPWMVJJP-QSGKUKMWSA-N +HMDB0046541 968.877191455 TG(22:0/20:1(11Z)/18:2(9Z,12Z)) C63H116O6 LEZBCWXJJZZACU-NYUYSZTLSA-N +HMDB0046542 966.861541391 TG(22:0/20:1(11Z)/18:3(6Z,9Z,12Z)) C63H114O6 BJOKYLJMABAHNL-RGDGXKHXSA-N +HMDB0046549 966.861541391 TG(22:0/20:1(11Z)/18:3(9Z,12Z,15Z)) C63H114O6 YWQYUQPMOLYBJW-ROPUVPJDSA-N +HMDB0046550 964.845891326 TG(22:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C63H112O6 TUZZBILRHPBTHW-XUBHAFIFSA-N +HMDB0046555 958.929227028 TG(22:0/20:1(11Z)/o-18:0) C63H122O5 XFSRNVJYWCLUGE-SFTFLQKMSA-N +HMDB0046559 938.830241262 TG(22:0/20:3(5Z,8Z,11Z)/16:1(9Z)) C61H110O6 LWKAZICCJBIXBG-PYGGNLRSSA-N +HMDB0046560 966.861541391 TG(22:0/20:3(5Z,8Z,11Z)/18:1(11Z)) C63H114O6 GKSQQYCZRSBFKG-DOAJSNOHSA-N +HMDB0046561 966.861541391 TG(22:0/20:3(5Z,8Z,11Z)/18:1(9Z)) C63H114O6 BGIMVPIMTCDTIR-NJOYNODISA-N +HMDB0046566 964.845891326 TG(22:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)) C63H112O6 XGXUDWBHHLLXEY-KESZXVECSA-N +HMDB0046567 962.830241262 TG(22:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) C63H110O6 OHGHFOMCCWAMGO-GGUDGPTISA-N +HMDB0046574 962.830241262 TG(22:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)) C63H110O6 COTBIHOOVUEBLQ-GPDRFHHZSA-N +HMDB0046580 954.8979269 TG(22:0/20:3(5Z,8Z,11Z)/o-18:0) C63H118O5 PLJUCVWMUHTXMN-UVXDFRCHSA-N +HMDB0046583 942.861541391 TG(22:0/22:1(13Z)/14:1(9Z)) C61H114O6 ZUYMTPHHKSWXII-XCYFVEGBSA-N +HMDB0046584 970.89284152 TG(22:0/22:1(13Z)/16:1(9Z)) C63H118O6 UHIRVISANDDFQO-MOBNGOAYSA-N +HMDB0046608 970.89284152 TG(22:0/24:1(15Z)/14:1(9Z)) C63H118O6 KDBXLBUVLNGKSH-ITNNUTPKSA-N +HMDB0046633 884.783291069 TG(22:0/18:2(9Z,12Z)/14:1(9Z)) C57H104O6 FYOAFNBAIZJVFT-NTJLCKQPSA-N +HMDB0046635 940.845891326 TG(22:0/18:2(9Z,12Z)/18:1(11Z)) C61H112O6 BVJWKPOODLDRIT-PEABHCIMSA-N +HMDB0046636 940.845891326 TG(22:0/18:2(9Z,12Z)/18:1(9Z)) C61H112O6 POBQACNRSDFLSN-KWNVGJMZSA-N +HMDB0046637 968.877191455 TG(22:0/18:2(9Z,12Z)/20:1(11Z)) C63H116O6 CYNDYCIRXVVTMS-NYUYSZTLSA-N +HMDB0046638 964.845891326 TG(22:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z)) C63H112O6 RNCIUDLIXBXAFK-OHUBGVLXSA-N +HMDB0046641 938.830241262 TG(22:0/18:2(9Z,12Z)/18:2(9Z,12Z)) C61H110O6 OEWUGNNMLZAOCV-HESLGCGWSA-N +HMDB0046643 966.861541391 TG(22:0/18:2(9Z,12Z)/20:2n6) C63H114O6 JCOSJHHIEGDUHK-WPTUVLMGSA-N +HMDB0046644 964.845891326 TG(22:0/18:2(9Z,12Z)/20:3n6) C63H112O6 FOFFTNBYEWWFON-GXOGTJNASA-N +HMDB0046645 962.830241262 TG(22:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) C63H110O6 WLCMTXXFZMOMHZ-HCQIXYHGSA-N +HMDB0046651 962.830241262 TG(22:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) C63H110O6 NUARLQSDFGRENY-DPBDSRLRSA-N +HMDB0046655 928.882276835 TG(22:0/18:2(9Z,12Z)/o-18:0) C61H116O5 GVNOVHPRZPBICJ-FMZYJFPSSA-N +HMDB0046658 882.767641004 TG(22:0/18:3(6Z,9Z,12Z)/14:1(9Z)) C57H102O6 OOXHPYMTHPKODA-FGMJLWFOSA-N +HMDB0046660 938.830241262 TG(22:0/18:3(6Z,9Z,12Z)/18:1(11Z)) C61H110O6 IGCFSFMLNPLXMG-DCQATEPYSA-N +HMDB0046661 938.830241262 TG(22:0/18:3(6Z,9Z,12Z)/18:1(9Z)) C61H110O6 IBFKGUJFNGJJRX-AOCQWRAGSA-N +HMDB0046662 966.861541391 TG(22:0/18:3(6Z,9Z,12Z)/20:1(11Z)) C63H114O6 PEOBDAPKUYNJDB-MYOXEBKRSA-N +HMDB0046663 962.830241262 TG(22:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)) C63H110O6 UYRLXLPLLFAUHZ-PLJKHQMYSA-N +HMDB0046668 964.845891326 TG(22:0/18:3(6Z,9Z,12Z)/20:2n6) C63H112O6 FEJZLHABNKUOEC-OZGNECFISA-N +HMDB0046669 962.830241262 TG(22:0/18:3(6Z,9Z,12Z)/20:3n6) C63H110O6 LABYNSUZQGFKHQ-YKIUAFIRSA-N +HMDB0046677 958.798941133 TG(22:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 MPNBJXUQYBYLAM-ZFVYTVGJSA-N +HMDB0046680 926.866626771 TG(22:0/18:3(6Z,9Z,12Z)/o-18:0) C61H114O5 USAFSLJNOZHCHX-OLDLFXAKSA-N +HMDB0046684 940.845891326 TG(22:0/20:2n6/16:1(9Z)) C61H112O6 UMZMGYWVBWXWDT-JFMOTOFNSA-N +HMDB0046685 968.877191455 TG(22:0/20:2n6/18:1(11Z)) C63H116O6 ZDIISHVVPLAVCQ-HQMLJKSRSA-N +HMDB0046686 968.877191455 TG(22:0/20:2n6/18:1(9Z)) C63H116O6 JQGCOHUTHPKJNA-IIFQMVJHSA-N +HMDB0046691 966.861541391 TG(22:0/20:2n6/18:2(9Z,12Z)) C63H114O6 DZABKADJKVACIK-WPTUVLMGSA-N +HMDB0046692 964.845891326 TG(22:0/20:2n6/18:3(6Z,9Z,12Z)) C63H112O6 PPOURTVWTVHRMU-PWFFWLJSSA-N +HMDB0046699 964.845891326 TG(22:0/20:2n6/18:3(9Z,12Z,15Z)) C63H112O6 HRJKHHJODKNNJK-QZHYZABFSA-N +HMDB0046700 962.830241262 TG(22:0/20:2n6/18:4(6Z,9Z,12Z,15Z)) C63H110O6 QIGRMYCCQMEGIU-GRCDQXJASA-N +HMDB0046705 956.913576964 TG(22:0/20:2n6/o-18:0) C63H120O5 NJFXQBUHWRCFMV-YAGAPKITSA-N +HMDB0046709 938.830241262 TG(22:0/20:3n6/16:1(9Z)) C61H110O6 RETPNLDNHGHCKP-MVRAHNBMSA-N +HMDB0046710 966.861541391 TG(22:0/20:3n6/18:1(11Z)) C63H114O6 MIDOZDIGHHQOQX-FNHXGNCZSA-N +HMDB0046711 966.861541391 TG(22:0/20:3n6/18:1(9Z)) C63H114O6 GDSOHLLQXYEIDF-NJEFQXLBSA-N +HMDB0046716 964.845891326 TG(22:0/20:3n6/18:2(9Z,12Z)) C63H112O6 FRWFMVSCXNKUPX-UMPIFXHYSA-N +HMDB0046717 962.830241262 TG(22:0/20:3n6/18:3(6Z,9Z,12Z)) C63H110O6 NZPQLKPAJMTADW-KXCXIZSASA-N +HMDB0046724 962.830241262 TG(22:0/20:3n6/18:3(9Z,12Z,15Z)) C63H110O6 YOUSHAZSTHBEJI-HIUQRNKPSA-N +HMDB0046730 954.8979269 TG(22:0/20:3n6/o-18:0) C63H118O5 FATDEJIPCRXHBE-OXDZVLJVSA-N +HMDB0046735 964.845891326 TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)) C63H112O6 MEEWQDGSGNOSQP-GEGMZPCCSA-N +HMDB0046736 964.845891326 TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) C63H112O6 XTFHDFLJLDMULJ-BSBHVWGUSA-N +HMDB0046741 962.830241262 TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)) C63H110O6 IKHPWHNVYZLELL-GUXUWGKWSA-N +HMDB0046750 958.798941133 TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) C63H106O6 YKVDFZOAUOIXCA-LAINSVEPSA-N +HMDB0046755 952.882276835 TG(22:0/20:4(5Z,8Z,11Z,14Z)/o-18:0) C63H116O5 JDBIUXJWGUOYCR-FYOBVNDYSA-N +HMDB0046758 940.845891326 TG(22:0/22:2(13Z,16Z)/14:1(9Z)) C61H112O6 CQQRPMOWXSEZTP-QUIYVIRQSA-N +HMDB0046759 968.877191455 TG(22:0/22:2(13Z,16Z)/16:1(9Z)) C63H116O6 WHBOQNGVRPUVKB-XQVSIXSYSA-N +HMDB0046784 964.845891326 TG(22:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z)) C63H112O6 ZOOFCAJPCUMJET-HVRWHINPSA-N +HMDB0046809 962.830241262 TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)) C63H110O6 XFCIPVYPNCSGSK-NHVKAKLUSA-N +HMDB0046833 882.767641004 TG(22:0/18:3(9Z,12Z,15Z)/14:1(9Z)) C57H102O6 QEYIHHBEALJAPR-ROXUKPIWSA-N +HMDB0046835 938.830241262 TG(22:0/18:3(9Z,12Z,15Z)/18:1(11Z)) C61H110O6 NIHHWECWJIEWCW-LPGYKYJVSA-N +HMDB0046836 938.830241262 TG(22:0/18:3(9Z,12Z,15Z)/18:1(9Z)) C61H110O6 WSEOLICCQLXYAB-GFWVYVNBSA-N +HMDB0046837 966.861541391 TG(22:0/18:3(9Z,12Z,15Z)/20:1(11Z)) C63H114O6 JYVPIHBHFXEWIN-ROPUVPJDSA-N +HMDB0046838 962.830241262 TG(22:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)) C63H110O6 WZSWCHGXBYZHMA-ZPIGIMDISA-N +HMDB0046843 964.845891326 TG(22:0/18:3(9Z,12Z,15Z)/20:2n6) C63H112O6 NMHPZWRTPAPYOL-QZHYZABFSA-N +HMDB0046844 962.830241262 TG(22:0/18:3(9Z,12Z,15Z)/20:3n6) C63H110O6 NPZLRDCOUNCXDT-GWNYCUKNSA-N +HMDB0046852 958.798941133 TG(22:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 HGSNEKPPSIBDLE-QSSNRTBFSA-N +HMDB0046855 926.866626771 TG(22:0/18:3(9Z,12Z,15Z)/o-18:0) C61H114O5 SCMQOOVUTQRBPX-HAPINPQDSA-N +HMDB0046858 880.75199094 TG(22:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z)) C57H100O6 IHSDKTOLZNRUIJ-PCXGZXBVSA-N +HMDB0046862 964.845891326 TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z)) C63H112O6 LGZWDESXZRQBOV-CMYGUDMISA-N +HMDB0046868 962.830241262 TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:2n6) C63H110O6 ZDIIFMFAQBMYEV-CADHATCMSA-N +HMDB0046870 958.798941124 TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) C63H106O6 OWJXGNJNFGGSAF-AEABGYOISA-N +HMDB0046876 958.798941133 TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) C63H106O6 QULNTIICGQLJOS-NXJRNUGVSA-N +HMDB0046877 956.783291069 TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 GWECERDTBORDQQ-JMLGMZHJSA-N +HMDB0046880 924.850976706 TG(22:0/18:4(6Z,9Z,12Z,15Z)/o-18:0) C61H112O5 GUBRCOQXLRVIHB-HWDANKEISA-N +HMDB0046885 964.845891326 TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z)) C63H112O6 XDLVHAQCGLBAQF-VMXIGYHQSA-N +HMDB0046886 964.845891326 TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z)) C63H112O6 GEGMUTTVHLZEBG-HEKXAYCTSA-N +HMDB0046891 962.830241262 TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)) C63H110O6 RXEXVUVFJRTYMW-MDTBSHAISA-N +HMDB0046900 958.798941133 TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) C63H106O6 CQRHWLBMFHTPSF-VJNFPLBVSA-N +HMDB0046905 952.882276835 TG(22:0/20:4(8Z,11Z,14Z,17Z)/o-18:0) C63H116O5 YDNSSVJJLZBKEO-KYKVNZHESA-N +HMDB0046910 962.830241262 TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z)) C63H110O6 YPOPSJNSJQLQSC-QZUWEFPESA-N +HMDB0046911 962.830241262 TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)) C63H110O6 IMWXKSCYQVBGON-HCYKTLOTSA-N +HMDB0046917 958.798941133 TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)) C63H106O6 FJSARSYJKVJQHG-BNJMEBETSA-N +HMDB0046924 958.798941133 TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) C63H106O6 ATYQADYSFQGJBV-UZCHJDFASA-N +HMDB0046925 956.783291069 TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) C63H104O6 FGBZKVMJCSLMNT-YGYUTAOWSA-N +HMDB0046930 950.866626771 TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0) C63H114O5 LNEGIXKHOVJBCA-HPEDWPGISA-N +HMDB0046934 962.830241262 TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) C63H110O6 KFTJSRDBWLUZAR-NUYSAEBSSA-N +HMDB0046983 874.835326642 TG(22:0/o-18:0/14:1(9Z)) C57H110O5 JEERBMFDIWSRBT-IIYWXNMISA-N +HMDB0046984 902.866626771 TG(22:0/o-18:0/16:1(9Z)) C59H114O5 CAPXDNNJSKSNHK-COAUFNLESA-N +HMDB0046987 958.929227028 TG(22:0/o-18:0/20:1(11Z)) C63H122O5 CAOCEUZJFODCFY-SFTFLQKMSA-N +HMDB0046988 954.8979269 TG(22:0/o-18:0/20:3(5Z,8Z,11Z)) C63H118O5 FCFBMPGFGZPIBY-SZPOQHLJSA-N +HMDB0046991 928.882276835 TG(22:0/o-18:0/18:2(9Z,12Z)) C61H116O5 JAOICCCVVONLHB-FMZYJFPSSA-N +HMDB0046992 926.866626771 TG(22:0/o-18:0/18:3(6Z,9Z,12Z)) C61H114O5 DGOPRVUMKXMBBN-GCPRVGKFSA-N +HMDB0046993 956.913576964 TG(22:0/o-18:0/20:2n6) C63H120O5 SXKDYXAVNJJKQE-YAGAPKITSA-N +HMDB0046994 954.8979269 TG(22:0/o-18:0/20:3n6) C63H118O5 NROZTINCWPRCMV-LWEOUFGKSA-N +HMDB0046995 952.882276835 TG(22:0/o-18:0/20:4(5Z,8Z,11Z,14Z)) C63H116O5 WKEWFXQSALSQCQ-MSTNBBFJSA-N +HMDB0046999 926.866626771 TG(22:0/o-18:0/18:3(9Z,12Z,15Z)) C61H114O5 KREDKADJJBSZQK-HAPINPQDSA-N +HMDB0047000 924.850976706 TG(22:0/o-18:0/18:4(6Z,9Z,12Z,15Z)) C61H112O5 KSLLVJBDFZEPTB-ZGKFSGSJSA-N +HMDB0047001 952.882276835 TG(22:0/o-18:0/20:4(8Z,11Z,14Z,17Z)) C63H116O5 ZWRVHEJEANYSRU-UPHNUPBLSA-N +HMDB0047002 950.866626771 TG(22:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H114O5 HAAANVHPHRLRPS-QVUOHJAASA-N +HMDB0047007 888.814591198 TG(24:0/14:0/16:1(9Z)) C57H108O6 UVYBPHXSHXEHQX-WTNBXCFCSA-N +HMDB0047008 916.845891326 TG(24:0/14:0/18:1(11Z)) C59H112O6 OOHIULWPYUEZRR-BUKBLQRKSA-N +HMDB0047009 916.845891326 TG(24:0/14:0/18:1(9Z)) C59H112O6 JAMTWOKYIOCODD-QKNLQKMTSA-N +HMDB0047011 940.845891326 TG(24:0/14:0/20:3(5Z,8Z,11Z)) C61H112O6 MBEHVCHNDQZWCB-YODUNMEZSA-N +HMDB0047012 972.908491584 TG(24:0/14:0/22:1(13Z)) C63H120O6 PPUWOQZPYWAPRO-NQFAIHCZSA-N +HMDB0047014 914.830241262 TG(24:0/14:0/18:2(9Z,12Z)) C59H110O6 IPMCDSYSCPXHTB-YGKYETHISA-N +HMDB0047016 942.861541391 TG(24:0/14:0/20:2n6) C61H114O6 AGHHOFLCBXWHOS-FURYJAGQSA-N +HMDB0047017 940.845891326 TG(24:0/14:0/20:3n6) C61H112O6 CCYKAYZERNIDEA-FQXMZLCQSA-N +HMDB0047018 938.830241262 TG(24:0/14:0/20:4(5Z,8Z,11Z,14Z)) C61H110O6 KGCOMYRIEUMHBE-QIMKBFHLSA-N +HMDB0047019 970.89284152 TG(24:0/14:0/22:2(13Z,16Z)) C63H118O6 VYZRRPSXSDYNCO-OGZGDILSSA-N +HMDB0047020 966.861541391 TG(24:0/14:0/22:4(7Z,10Z,13Z,16Z)) C63H114O6 SWJAOFQRGQDADV-DDESYYAESA-N +HMDB0047021 964.845891326 TG(24:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H112O6 ISJUEJIQJNPESE-IQVOXYQMSA-N +HMDB0047024 938.830241262 TG(24:0/14:0/20:4(8Z,11Z,14Z,17Z)) C61H110O6 VGJLRVHUGWORNM-UXNDQROASA-N +HMDB0047026 964.845891326 TG(24:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H112O6 LTKCBUMGVCUVPG-XQCODHMDSA-N +HMDB0047027 962.830241262 TG(24:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H110O6 AOEMOZQBRAJCGN-DZPQYBBBSA-N +HMDB0047054 888.814591198 TG(24:0/16:0/14:1(9Z)) C57H108O6 QOPDMHCKZZFVHH-IXHOOSMISA-N +HMDB0047055 916.845891326 TG(24:0/16:0/16:1(9Z)) C59H112O6 IZQSAPJJVMUNHL-BUKBLQRKSA-N +HMDB0047058 972.908491584 TG(24:0/16:0/20:1(11Z)) C63H120O6 WOZPSEZFVJBYJL-FLTKJYRDSA-N +HMDB0047059 968.877191455 TG(24:0/16:0/20:3(5Z,8Z,11Z)) C63H116O6 VPGFYQNSTYPTAI-KXCYRNGVSA-N +HMDB0047062 942.861541391 TG(24:0/16:0/18:2(9Z,12Z)) C61H114O6 NSRSRNOQDGUIQQ-AWYLIJQVSA-N +HMDB0047063 940.845891326 TG(24:0/16:0/18:3(6Z,9Z,12Z)) C61H112O6 CSNMMADQHKSQLN-AMLZRHAWSA-N +HMDB0047064 970.89284152 TG(24:0/16:0/20:2n6) C63H118O6 QMUANRQBCWCFMK-PWULZGLXSA-N +HMDB0047065 968.877191455 TG(24:0/16:0/20:3n6) C63H116O6 ABFACKHFNWRLBN-UJOSCSIKSA-N +HMDB0047066 966.861541391 TG(24:0/16:0/20:4(5Z,8Z,11Z,14Z)) C63H114O6 MASGOWIBHUPTSI-SFVLEJGZSA-N +HMDB0047070 940.845891326 TG(24:0/16:0/18:3(9Z,12Z,15Z)) C61H112O6 XMIDMFLTTPZJFG-DTGSQNBHSA-N +HMDB0047071 938.830241262 TG(24:0/16:0/18:4(6Z,9Z,12Z,15Z)) C61H110O6 WAYMRLQEAVIHIN-LQRXYVGKSA-N +HMDB0047072 966.861541391 TG(24:0/16:0/20:4(8Z,11Z,14Z,17Z)) C63H114O6 MLAAGFLYGGJEIR-UJCBBSHKSA-N +HMDB0047073 964.845891326 TG(24:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H112O6 CSXWGAYDXHHFDH-JDRQHAIFSA-N +HMDB0047078 916.845891326 TG(24:0/18:0/14:1(9Z)) C59H112O6 KWWVXMLEUYDGGY-AAABZKSKSA-N +HMDB0047080 972.908491584 TG(24:0/18:0/18:1(11Z)) C63H120O6 PDFGKXGOWBDITR-SVFUARKBSA-N +HMDB0047081 972.908491584 TG(24:0/18:0/18:1(9Z)) C63H120O6 XZEKHDQNQNUYCG-LTLOUOCESA-N +HMDB0047086 970.89284152 TG(24:0/18:0/18:2(9Z,12Z)) C63H118O6 CLPGGZLOXDCDRW-WFYVVMRGSA-N +HMDB0047087 968.877191455 TG(24:0/18:0/18:3(6Z,9Z,12Z)) C63H116O6 GIPQJGVRFPTGNE-LRSIYDEUSA-N +HMDB0047094 968.877191455 TG(24:0/18:0/18:3(9Z,12Z,15Z)) C63H116O6 URBAOCZNEPINCX-UDMQSNSMSA-N +HMDB0047095 966.861541391 TG(24:0/18:0/18:4(6Z,9Z,12Z,15Z)) C63H114O6 OBQQBOPIPFQDPJ-BVKAFERTSA-N +HMDB0047103 972.908491584 TG(24:0/20:0/16:1(9Z)) C63H120O6 XXHFTCACPARCGZ-RXNSVRMPSA-N +HMDB0047126 972.908491584 TG(24:0/22:0/14:1(9Z)) C63H120O6 FWVLOXKUQLDETR-UMYTVORISA-N +HMDB0047176 914.830241262 TG(24:0/14:1(9Z)/18:1(11Z)) C59H110O6 JCOOWXXKIVGLLZ-MCIXCOEMSA-N +HMDB0047177 914.830241262 TG(24:0/14:1(9Z)/18:1(9Z)) C59H110O6 XHAVMTLJTOZKKY-XXWNTSGZSA-N +HMDB0047178 942.861541391 TG(24:0/14:1(9Z)/20:1(11Z)) C61H114O6 XXGCNFKQIMIEKF-XCYFVEGBSA-N +HMDB0047179 938.830241262 TG(24:0/14:1(9Z)/20:3(5Z,8Z,11Z)) C61H110O6 UFISVPDSQMIDGI-KDBREOEUSA-N +HMDB0047180 970.89284152 TG(24:0/14:1(9Z)/22:1(13Z)) C63H118O6 ABLVQVNHRJIDDA-NYMNXKKASA-N +HMDB0047184 940.845891326 TG(24:0/14:1(9Z)/20:2n6) C61H112O6 QBIXIQXOQCCVJI-QUIYVIRQSA-N +HMDB0047185 938.830241262 TG(24:0/14:1(9Z)/20:3n6) C61H110O6 XDOWEQFXTJXLQK-NQSQMGGWSA-N +HMDB0047187 968.877191455 TG(24:0/14:1(9Z)/22:2(13Z,16Z)) C63H116O6 VQFSLGRGKYUSSR-RBAYELBESA-N +HMDB0047188 964.845891326 TG(24:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C63H112O6 VHXPQJFOLJPCQU-DXHUEQHBSA-N +HMDB0047189 962.830241262 TG(24:0/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H110O6 DZKPWYXJQNAJRE-FVVCBLSCSA-N +HMDB0047194 962.830241262 TG(24:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H110O6 BZZJVZIMQHLYFH-KQYNYONPSA-N +HMDB0047196 902.866626771 TG(24:0/14:1(9Z)/o-18:0) C59H114O5 KWSTWEQIGGYEMX-WYUVFQPTSA-N +HMDB0047199 914.830241252 TG(24:0/16:1(9Z)/16:1(9Z)) C59H110O6 JKLQMZASXAUKDG-ZLUYPCRLSA-N +HMDB0047200 942.861541391 TG(24:0/16:1(9Z)/18:1(11Z)) C61H114O6 WBFSLXIVMFYBJL-GMFCVOFDSA-N +HMDB0047201 942.861541391 TG(24:0/16:1(9Z)/18:1(9Z)) C61H114O6 RKDUCRGKMCKYTN-DBLPNNMMSA-N +HMDB0047202 970.89284152 TG(24:0/16:1(9Z)/20:1(11Z)) C63H118O6 QYDPSHIZJLSVKM-MOBNGOAYSA-N +HMDB0047203 966.861541391 TG(24:0/16:1(9Z)/20:3(5Z,8Z,11Z)) C63H114O6 IRMUTXUYWRLUGE-JTNZRJBRSA-N +HMDB0047206 940.845891326 TG(24:0/16:1(9Z)/18:2(9Z,12Z)) C61H112O6 USMSEKIRTKUMEG-KQSPMYCLSA-N +HMDB0047207 938.830241262 TG(24:0/16:1(9Z)/18:3(6Z,9Z,12Z)) C61H110O6 LBZONYRNSJMDKD-LSZOQQCOSA-N +HMDB0047208 968.877191455 TG(24:0/16:1(9Z)/20:2n6) C63H116O6 RHKGVUCWKLHRQP-XQVSIXSYSA-N +HMDB0047209 966.861541391 TG(24:0/16:1(9Z)/20:3n6) C63H114O6 MPULJGAMFCKYGH-RMDGVKKYSA-N +HMDB0047210 964.845891326 TG(24:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C63H112O6 PTCDSFDXNQAUJF-MKMMENHLSA-N +HMDB0047214 938.830241262 TG(24:0/16:1(9Z)/18:3(9Z,12Z,15Z)) C61H110O6 RCHRBILGWVSBMD-XNMIHLJYSA-N +HMDB0047216 964.845891326 TG(24:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C63H112O6 NWCKRGICIKHKFU-KNSFNSQFSA-N +HMDB0047217 962.830241262 TG(24:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H110O6 BSPIFBZEPCECGT-CQYVPLOPSA-N +HMDB0047222 914.830241262 TG(24:0/18:1(11Z)/14:1(9Z)) C59H110O6 ZMOMBZWRGVTTLX-MCIXCOEMSA-N +HMDB0047223 942.861541391 TG(24:0/18:1(11Z)/16:1(9Z)) C61H114O6 PAWWFARWOBDKCZ-GMFCVOFDSA-N +HMDB0047224 970.89284152 TG(24:0/18:1(11Z)/18:1(11Z)) C63H118O6 HSADKDIVCWSNKY-XGLLORPLSA-N +HMDB0047225 970.89284152 TG(24:0/18:1(11Z)/18:1(9Z)) C63H118O6 FXXAUAAYIAECGB-LHHFLNNESA-N +HMDB0047230 968.877191455 TG(24:0/18:1(11Z)/18:2(9Z,12Z)) C63H116O6 RVRTUMVPHQBOPW-ZZLUDCBUSA-N +HMDB0047231 966.861541391 TG(24:0/18:1(11Z)/18:3(6Z,9Z,12Z)) C63H114O6 LSSCZEINTKPCRU-UDBROKPMSA-N +HMDB0047238 966.861541391 TG(24:0/18:1(11Z)/18:3(9Z,12Z,15Z)) C63H114O6 JTMWSXQSMSFDAB-XITMOLFCSA-N +HMDB0047239 964.845891326 TG(24:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C63H112O6 WNTKADGAFKNKPP-YGFWICIISA-N +HMDB0047244 958.929227028 TG(24:0/18:1(11Z)/o-18:0) C63H122O5 AEWUIILVPVQOTF-NYINCGHRSA-N +HMDB0047246 914.830241262 TG(24:0/18:1(9Z)/14:1(9Z)) C59H110O6 SEPILWBSQJWVGW-XXWNTSGZSA-N +HMDB0047247 942.86154138 TG(24:0/18:1(9Z)/16:1(9Z)) C61H114O6 KGUKXPWFPDKTLO-DBLPNNMMSA-N +HMDB0047248 970.89284152 TG(24:0/18:1(9Z)/18:1(11Z)) C63H118O6 GVCWIXNHGLSALQ-KKDRTGKDSA-N +HMDB0047249 970.89284152 TG(24:0/18:1(9Z)/18:1(9Z)) C63H118O6 OZGHAUBMNCOWIH-CCWNELFASA-N +HMDB0047254 968.877191455 TG(24:0/18:1(9Z)/18:2(9Z,12Z)) C63H116O6 LZWYQOUXYAEBEU-QZWBWMDUSA-N +HMDB0047255 966.861541391 TG(24:0/18:1(9Z)/18:3(6Z,9Z,12Z)) C63H114O6 BLEZXNLVEWZCRH-SDNRSMOOSA-N +HMDB0047262 966.861541391 TG(24:0/18:1(9Z)/18:3(9Z,12Z,15Z)) C63H114O6 AGZNGMZBQPKGJK-NKNKUKIVSA-N +HMDB0047263 964.845891326 TG(24:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C63H112O6 OWLALMGEVBJBJV-GLXVKYISSA-N +HMDB0047268 958.929227028 TG(24:0/18:1(9Z)/o-18:0) C63H122O5 OIXSAFSNRKDPLC-KPUVNLRISA-N +HMDB0047270 942.861541391 TG(24:0/20:1(11Z)/14:1(9Z)) C61H114O6 NXBSSTRUFABJPB-XCYFVEGBSA-N +HMDB0047271 970.89284152 TG(24:0/20:1(11Z)/16:1(9Z)) C63H118O6 WLQOSKFMJPLCIL-MOBNGOAYSA-N +HMDB0047294 938.830241262 TG(24:0/20:3(5Z,8Z,11Z)/14:1(9Z)) C61H110O6 WZTGTJAUXOIVNF-SKVYXICMSA-N +HMDB0047295 966.861541391 TG(24:0/20:3(5Z,8Z,11Z)/16:1(9Z)) C63H114O6 WICCDJPCCTZLBO-SKTYPZPBSA-N +HMDB0047318 970.89284152 TG(24:0/22:1(13Z)/14:1(9Z)) C63H118O6 LQUXSTRECRGYRZ-NYMNXKKASA-N +HMDB0047367 940.845891326 TG(24:0/18:2(9Z,12Z)/16:1(9Z)) C61H112O6 UJXQJJSLQLGCCL-KQSPMYCLSA-N +HMDB0047368 968.877191455 TG(24:0/18:2(9Z,12Z)/18:1(11Z)) C63H116O6 IYSLCAKQDCKAPA-SLWPVJLKSA-N +HMDB0047369 968.877191455 TG(24:0/18:2(9Z,12Z)/18:1(9Z)) C63H116O6 MDAOMPFQZJLFBG-HOJSXSTESA-N +HMDB0047374 966.861541391 TG(24:0/18:2(9Z,12Z)/18:2(9Z,12Z)) C63H114O6 MENKUUOOQRGDSS-IUNRMFRSSA-N +HMDB0047375 964.845891326 TG(24:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) C63H112O6 SYCPSWRZYSSYMM-KSAGRNAESA-N +HMDB0047382 964.845891326 TG(24:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) C63H112O6 NCTGMGBJXWCUSU-SOTXLCDASA-N +HMDB0047383 962.830241262 TG(24:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) C63H110O6 AQUHVGHTBSILQP-FKZIQONFSA-N +HMDB0047388 956.913576964 TG(24:0/18:2(9Z,12Z)/o-18:0) C63H120O5 RIVUGQBNZQXMMO-RVEZQVEJSA-N +HMDB0047391 938.830241262 TG(24:0/18:3(6Z,9Z,12Z)/16:1(9Z)) C61H110O6 MLKVMZHDVPFECT-VCPUAHPWSA-N +HMDB0047392 966.861541391 TG(24:0/18:3(6Z,9Z,12Z)/18:1(11Z)) C63H114O6 KZYYSJQGDAJSBI-IPBIKHCZSA-N +HMDB0047393 966.861541391 TG(24:0/18:3(6Z,9Z,12Z)/18:1(9Z)) C63H114O6 JZYOAWXKTIAAOD-FJRSCSTLSA-N +HMDB0047398 964.845891326 TG(24:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) C63H112O6 JFSBSLVFROLCLU-DSVQNSBCSA-N +HMDB0047399 962.830241262 TG(24:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) C63H110O6 MOFDKHZXLRZVOO-CGGKSPRESA-N +HMDB0047406 962.830241262 TG(24:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) C63H110O6 GSINXERSHYXLOO-JKDVKRPSSA-N +HMDB0047412 954.8979269 TG(24:0/18:3(6Z,9Z,12Z)/o-18:0) C63H118O5 BTMVDFIHILPGTB-SNWIDWGDSA-N +HMDB0047414 940.845891326 TG(24:0/20:2n6/14:1(9Z)) C61H112O6 JTAZFPZUAINKAO-QUIYVIRQSA-N +HMDB0047415 968.877191455 TG(24:0/20:2n6/16:1(9Z)) C63H116O6 XKLBAGAZJABNLI-XQVSIXSYSA-N +HMDB0047438 938.830241262 TG(24:0/20:3n6/14:1(9Z)) C61H110O6 XGRHXRCXVVXNRR-KDGHHESYSA-N +HMDB0047439 966.861541391 TG(24:0/20:3n6/16:1(9Z)) C63H114O6 JPJMXAFPVUPHGK-UPCHYJRJSA-N +HMDB0047463 964.845891326 TG(24:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) C63H112O6 LWZVEKQNTUNOHB-MTWIKBTCSA-N +HMDB0047486 968.877191455 TG(24:0/22:2(13Z,16Z)/14:1(9Z)) C63H116O6 UBOALFOWVHLTCP-RBAYELBESA-N +HMDB0047510 964.845891326 TG(24:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z)) C63H112O6 RBAXJCVLSUEXJH-WCBQSPGLSA-N +HMDB0047534 962.830241262 TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)) C63H110O6 DXLAYYUDUQMJEA-WHNXSCMQSA-N +HMDB0047559 938.830241262 TG(24:0/18:3(9Z,12Z,15Z)/16:1(9Z)) C61H110O6 JCQPLTYLLRMKIQ-XNMIHLJYSA-N +HMDB0047560 966.861541391 TG(24:0/18:3(9Z,12Z,15Z)/18:1(11Z)) C63H114O6 MSQOAJJKBRJHKC-WOXGTIBRSA-N +HMDB0047561 966.861541391 TG(24:0/18:3(9Z,12Z,15Z)/18:1(9Z)) C63H114O6 AHYOFQHJCROZHS-WHTAAGGISA-N +HMDB0047566 964.845891326 TG(24:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) C63H112O6 FJCZNIRVTYQYOI-KTJVZGKESA-N +HMDB0047567 962.830241262 TG(24:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) C63H110O6 FKDVIQPHQIWBSH-AEOIDKGLSA-N +HMDB0047574 962.830241262 TG(24:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) C63H110O6 NVDYXXAEDSIYNY-FBCHIRCKSA-N +HMDB0047580 954.8979269 TG(24:0/18:3(9Z,12Z,15Z)/o-18:0) C63H118O5 LHGYPMLTLDHXRM-KHKGUJNRSA-N +HMDB0047584 964.845891326 TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z)) C63H112O6 YHXPJGXXXHDEDU-LPBBNXRDSA-N +HMDB0047585 964.845891326 TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z)) C63H112O6 QYSAZPWQWDQBMK-HJWCOGPNSA-N +HMDB0047590 962.830241262 TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)) C63H110O6 DZRDCZBPJFZULK-GFQNSZRUSA-N +HMDB0047599 958.798941133 TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) C63H106O6 JNWUZJVVSINCRU-MPCBJDOISA-N +HMDB0047604 952.882276835 TG(24:0/18:4(6Z,9Z,12Z,15Z)/o-18:0) C63H116O5 YRIBGJSBLCTVJS-UYUBXDOXSA-N +HMDB0047607 964.845891326 TG(24:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z)) C63H112O6 BDAAUVXVYYGPNU-DJNMVNNCSA-N +HMDB0047631 962.830241262 TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)) C63H110O6 YERFYJOKWWABQO-NNZNBNOOSA-N +HMDB0047654 962.830241262 TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) C63H110O6 HTYGMBXFTNEZHO-DYONDRKSSA-N +HMDB0047702 902.866626771 TG(24:0/o-18:0/14:1(9Z)) C59H114O5 FUAWAXRBBSTPLW-WYUVFQPTSA-N +HMDB0047704 958.929227028 TG(24:0/o-18:0/18:1(11Z)) C63H122O5 KGEVQMGAUYEWTD-NYINCGHRSA-N +HMDB0047705 958.929227028 TG(24:0/o-18:0/18:1(9Z)) C63H122O5 HQQQOQMFXJYUMG-KPUVNLRISA-N +HMDB0047710 956.913576964 TG(24:0/o-18:0/18:2(9Z,12Z)) C63H120O5 OTARVUCVZUWLOP-RVEZQVEJSA-N +HMDB0047711 954.8979269 TG(24:0/o-18:0/18:3(6Z,9Z,12Z)) C63H118O5 MNBYMCVZZONTET-ZIAGUZGGSA-N +HMDB0047718 954.8979269 TG(24:0/o-18:0/18:3(9Z,12Z,15Z)) C63H118O5 JNIVZFHKRHKLRF-KHKGUJNRSA-N +HMDB0047719 952.882276835 TG(24:0/o-18:0/18:4(6Z,9Z,12Z,15Z)) C63H116O5 FAAHFCOXNIGEMO-GFAJMFIRSA-N +HMDB0047760 842.736340876 TG(14:1(9Z)/15:0/22:2(13Z,16Z)) C54H98O6 QGSFHGSYPKDCBO-OCCKZLQQSA-N +HMDB0047783 856.75199094 TG(14:1(9Z)/16:0/22:2(13Z,16Z)) C55H100O6 QZRITKSXWHDXFB-AQMPJRPXSA-N +HMDB0047784 852.720690811 TG(14:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z)) C55H96O6 DJBSAGJERMKCDN-PNPLQMKDSA-N +HMDB0047800 914.830241262 TG(14:1(9Z)/18:0/24:1(15Z)) C59H110O6 CDJBHUGXUCDURI-AZKDRWSUSA-N +HMDB0047803 856.75199094 TG(14:1(9Z)/18:0/20:2n6) C55H100O6 FSTDLLFKLQLNCY-LPLBOQDCSA-N +HMDB0047805 852.720690811 TG(14:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z)) C55H96O6 LMDMXKYAEKPMRJ-XKMHHYLWSA-N +HMDB0047806 884.783291069 TG(14:1(9Z)/18:0/22:2(13Z,16Z)) C57H104O6 TYUOYBHEQWBQON-YXBKKIBYSA-N +HMDB0047807 880.75199094 TG(14:1(9Z)/18:0/22:4(7Z,10Z,13Z,16Z)) C57H100O6 FAEIJJBFHNTKST-FCJLYCLESA-N +HMDB0047811 852.720690811 TG(14:1(9Z)/18:0/20:4(8Z,11Z,14Z,17Z)) C55H96O6 DAAWWDSQUNUMHY-QRSUAQOQSA-N +HMDB0047821 882.767641004 TG(14:1(9Z)/20:0/20:3(5Z,8Z,11Z)) C57H102O6 DIKFHEKYQJZAEV-AILMYUQKSA-N +HMDB0047822 914.830241262 TG(14:1(9Z)/20:0/22:1(13Z)) C59H110O6 QMOZRBHWRVHQOJ-AZKDRWSUSA-N +HMDB0047823 942.861541391 TG(14:1(9Z)/20:0/24:1(15Z)) C61H114O6 XJZRZLMCPQTTIU-GWPMROEHSA-N +HMDB0047824 856.75199094 TG(14:1(9Z)/20:0/18:2(9Z,12Z)) C55H100O6 RFMPQNSSBPXIIY-HLUBQEQQSA-N +HMDB0047826 884.783291069 TG(14:1(9Z)/20:0/20:2n6) C57H104O6 NUYRINJQOPQTKC-YXBKKIBYSA-N +HMDB0047827 882.767641004 TG(14:1(9Z)/20:0/20:3n6) C57H102O6 AUEYCFPJLUPBLD-VBAODHEZSA-N +HMDB0047828 880.75199094 TG(14:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z)) C57H100O6 FCJIOGHLJHBKRR-KTSHDULSSA-N +HMDB0047833 852.720690811 TG(14:1(9Z)/20:0/18:4(6Z,9Z,12Z,15Z)) C55H96O6 QATNEARFLCYVEE-JVUXECHJSA-N +HMDB0047834 880.75199094 TG(14:1(9Z)/20:0/20:4(8Z,11Z,14Z,17Z)) C57H100O6 LKBVKNFLTKNLFF-RWCMAYOLSA-N +HMDB0047843 914.830241262 TG(14:1(9Z)/22:0/20:1(11Z)) C59H110O6 VOLUUICWFQPQGG-ZUZBGFAESA-N +HMDB0047845 942.861541391 TG(14:1(9Z)/22:0/22:1(13Z)) C61H114O6 DPOKSOYZNAGELJ-GWPMROEHSA-N +HMDB0047846 970.89284152 TG(14:1(9Z)/22:0/24:1(15Z)) C63H118O6 MYYDVRKVUNECKQ-BHTARXBPSA-N +HMDB0047847 884.783291069 TG(14:1(9Z)/22:0/18:2(9Z,12Z)) C57H104O6 AXFNIIJYCHZARY-ZTIYBWLLSA-N +HMDB0047848 882.767641004 TG(14:1(9Z)/22:0/18:3(6Z,9Z,12Z)) C57H102O6 VJRAKLSHWUZUGJ-KQNBKZFHSA-N +HMDB0047852 940.845891326 TG(14:1(9Z)/22:0/22:2(13Z,16Z)) C61H112O6 XORGQMNRBOZGBM-WVHAEAGOSA-N +HMDB0047855 882.767641004 TG(14:1(9Z)/22:0/18:3(9Z,12Z,15Z)) C57H102O6 LSLCAMBCQCOKNH-QJGMYCCBSA-N +HMDB0047856 880.75199094 TG(14:1(9Z)/22:0/18:4(6Z,9Z,12Z,15Z)) C57H100O6 HIHQJJVDWLEWFD-VMHSLYIXSA-N +HMDB0047861 874.835326642 TG(14:1(9Z)/22:0/o-18:0) C57H110O5 YIPJUHYAYCZWRJ-IIYWXNMISA-N +HMDB0047864 914.830241262 TG(14:1(9Z)/24:0/18:1(11Z)) C59H110O6 ZQMZDXCKJADKAC-CQKAMUCVSA-N +HMDB0047865 914.830241262 TG(14:1(9Z)/24:0/18:1(9Z)) C59H110O6 UDBFLEBTRNBEBZ-LRLWVPGOSA-N +HMDB0047866 942.861541391 TG(14:1(9Z)/24:0/20:1(11Z)) C61H114O6 PVJPHQHSWUWAQJ-YTGWZONKSA-N +HMDB0047867 938.830241262 TG(14:1(9Z)/24:0/20:3(5Z,8Z,11Z)) C61H110O6 RQHDZVBUHNJLAI-CBPFIWIXSA-N +HMDB0047868 970.89284152 TG(14:1(9Z)/24:0/22:1(13Z)) C63H118O6 PASXLGNHMHBIKZ-PQHWJMJOSA-N +HMDB0047872 940.845891326 TG(14:1(9Z)/24:0/20:2n6) C61H112O6 ZJPRUJQVOSHYAD-FOKIDFPCSA-N +HMDB0047873 938.830241262 TG(14:1(9Z)/24:0/20:3n6) C61H110O6 VARKWBYIQXSEHP-DQRLJEGTSA-N +HMDB0047875 968.877191455 TG(14:1(9Z)/24:0/22:2(13Z,16Z)) C63H116O6 JVIIPAKFIVOQGP-MGVDFNTRSA-N +HMDB0047876 964.845891326 TG(14:1(9Z)/24:0/22:4(7Z,10Z,13Z,16Z)) C63H112O6 PPKIZYUIIFPNOZ-CJLXBWGESA-N +HMDB0047877 962.830241262 TG(14:1(9Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H110O6 LOQLDSZRHWTGNQ-SLKRHJEASA-N +HMDB0047882 962.830241262 TG(14:1(9Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H110O6 RDIKTUSAPKAQOH-HSLIIHMISA-N +HMDB0047884 902.866626771 TG(14:1(9Z)/24:0/o-18:0) C59H114O5 IFAFZYRLCMKOIJ-WYUVFQPTSA-N +HMDB0047892 856.75199094 TG(14:1(9Z)/14:1(9Z)/24:1(15Z)) C55H100O6 DTWPBANPCJFNIA-QNOCGCPESA-N +HMDB0047914 856.75199094 TG(14:1(9Z)/16:1(9Z)/22:1(13Z)) C55H100O6 ARRWAWFZJHRGLN-RUTWIJPDSA-N +HMDB0047915 884.783291069 TG(14:1(9Z)/16:1(9Z)/24:1(15Z)) C57H104O6 BIBCTHOYLBOAJR-FQVFIEMGSA-N +HMDB0047935 856.75199094 TG(14:1(9Z)/18:1(11Z)/20:1(11Z)) C55H100O6 MGUXHCYCFLVGES-WWAUBUJQSA-N +HMDB0047936 852.720690811 TG(14:1(9Z)/18:1(11Z)/20:3(5Z,8Z,11Z)) C55H96O6 QGLNBMRMNJAFOO-MBMJTBHTSA-N +HMDB0047937 884.783291069 TG(14:1(9Z)/18:1(11Z)/22:1(13Z)) C57H104O6 WUTNRLSFTGCBMN-QSCSLWOISA-N +HMDB0047942 852.720690811 TG(14:1(9Z)/18:1(11Z)/20:3n6) C55H96O6 NKWRAFYNNIEZPH-LLQMOOPJSA-N +HMDB0047944 882.767641004 TG(14:1(9Z)/18:1(11Z)/22:2(13Z,16Z)) C57H102O6 XUSMNDFFJSIIQR-PVVBFDGQSA-N +HMDB0047958 856.75199094 TG(14:1(9Z)/18:1(9Z)/20:1(11Z)) C55H100O6 RYWWBXHDEGSCOG-GAAGLFOXSA-N +HMDB0047959 852.720690811 TG(14:1(9Z)/18:1(9Z)/20:3(5Z,8Z,11Z)) C55H96O6 UAXBSAJQKYIKRG-KFYGEJDJSA-N +HMDB0047960 884.783291069 TG(14:1(9Z)/18:1(9Z)/22:1(13Z)) C57H104O6 GBTKABUIAQMAPV-JEQUJCETSA-N +HMDB0047965 852.720690811 TG(14:1(9Z)/18:1(9Z)/20:3n6) C55H96O6 CGPMDMDZQFZLHH-JOBYQNAZSA-N +HMDB0047967 882.767641004 TG(14:1(9Z)/18:1(9Z)/22:2(13Z,16Z)) C57H102O6 CNRGDEVLIJIREE-CPRBWVNASA-N +HMDB0047979 856.75199094 TG(14:1(9Z)/20:1(11Z)/18:1(11Z)) C55H100O6 HWXYJCBLRIWFEE-WWAUBUJQSA-N +HMDB0047980 856.75199094 TG(14:1(9Z)/20:1(11Z)/18:1(9Z)) C55H100O6 YMPDPPQASWDPRK-GAAGLFOXSA-N +HMDB0047981 884.783291069 TG(14:1(9Z)/20:1(11Z)/20:1(11Z)) C57H104O6 OPZBOXKFTDVAOR-JXQORKFYSA-N +HMDB0047982 880.75199094 TG(14:1(9Z)/20:1(11Z)/20:3(5Z,8Z,11Z)) C57H100O6 DHQUEWMLMFUPTL-YSSJDGIJSA-N +HMDB0047984 940.845891326 TG(14:1(9Z)/20:1(11Z)/24:1(15Z)) C61H112O6 UVNIPBFYITWPNW-KCPLLMEXSA-N +HMDB0047986 852.720690811 TG(14:1(9Z)/20:1(11Z)/18:3(6Z,9Z,12Z)) C55H96O6 WYUKTVBUNYZEPG-UKGLDPHJSA-N +HMDB0047987 882.767641004 TG(14:1(9Z)/20:1(11Z)/20:2n6) C57H102O6 BGODCVGWEBYLGN-UTXPKRQLSA-N +HMDB0047988 880.75199094 TG(14:1(9Z)/20:1(11Z)/20:3n6) C57H100O6 BCMHHAAVHIRHKO-XLWYRELXSA-N +HMDB0047993 852.720690811 TG(14:1(9Z)/20:1(11Z)/18:3(9Z,12Z,15Z)) C55H96O6 TYVUFKFTHSFXIT-XDBIBJELSA-N +HMDB0048002 852.720690811 TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:1(11Z)) C55H96O6 QBKIULACTZPXJR-OTWOXXSYSA-N +HMDB0048003 852.720690811 TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z)) C55H96O6 DELOENOPQWJVLP-KLTXJGCRSA-N +HMDB0048004 880.75199094 TG(14:1(9Z)/20:3(5Z,8Z,11Z)/20:1(11Z)) C57H100O6 JMNWHZCLZAOONT-JHXKXPALSA-N +HMDB0048015 900.720690811 TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C59H96O6 HASCFYSLDYFKJC-LAOBDLPTSA-N +HMDB0048020 900.720690811 TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C59H96O6 XNDJLJYFFTWUTN-HBEPBMFUSA-N +HMDB0048024 856.75199094 TG(14:1(9Z)/22:1(13Z)/16:1(9Z)) C55H100O6 WUUWBWLVYRBSQT-RUTWIJPDSA-N +HMDB0048025 884.783291069 TG(14:1(9Z)/22:1(13Z)/18:1(11Z)) C57H104O6 FODKVBNCUCXQDG-QSCSLWOISA-N +HMDB0048026 884.783291069 TG(14:1(9Z)/22:1(13Z)/18:1(9Z)) C57H104O6 ZITWCTCGAATZHT-JEQUJCETSA-N +HMDB0048029 940.845891326 TG(14:1(9Z)/22:1(13Z)/22:1(13Z)) C61H112O6 FDMDMGLROVNITG-KCPLLMEXSA-N +HMDB0048030 968.877191455 TG(14:1(9Z)/22:1(13Z)/24:1(15Z)) C63H116O6 USJFTUJSTHNKJJ-BKDMQJNTSA-N +HMDB0048031 882.767641004 TG(14:1(9Z)/22:1(13Z)/18:2(9Z,12Z)) C57H102O6 WMXYDRBAGJDSCG-UQXSDYQWSA-N +HMDB0048032 880.75199094 TG(14:1(9Z)/22:1(13Z)/18:3(6Z,9Z,12Z)) C57H100O6 FFFBJYLAWNZQBW-ANICQBBUSA-N +HMDB0048036 938.830241262 TG(14:1(9Z)/22:1(13Z)/22:2(13Z,16Z)) C61H110O6 RIPMVOUZKWTQDO-NZHHDDOLSA-N +HMDB0048039 880.75199094 TG(14:1(9Z)/22:1(13Z)/18:3(9Z,12Z,15Z)) C57H100O6 CSWKLJWLTNNDPE-OCOJWXJXSA-N +HMDB0048046 856.751990932 TG(14:1(9Z)/24:1(15Z)/14:1(9Z)) C55H100O6 GEDOOJBTRRNYEP-HAOPMPSJSA-N +HMDB0048047 884.783291069 TG(14:1(9Z)/24:1(15Z)/16:1(9Z)) C57H104O6 ZXYLDUDAXJJFMZ-FQVFIEMGSA-N +HMDB0048050 940.845891326 TG(14:1(9Z)/24:1(15Z)/20:1(11Z)) C61H112O6 KZTAYHHQGGVNPE-KCPLLMEXSA-N +HMDB0048052 968.877191455 TG(14:1(9Z)/24:1(15Z)/22:1(13Z)) C63H116O6 RZHKUNBPKZZKQV-BKDMQJNTSA-N +HMDB0048056 938.830241262 TG(14:1(9Z)/24:1(15Z)/20:2n6) C61H110O6 NXTVIXLFALVIBZ-IZGZYJOESA-N +HMDB0048059 966.861541391 TG(14:1(9Z)/24:1(15Z)/22:2(13Z,16Z)) C63H114O6 NZGZMFGERFXOQI-QDUPTCFUSA-N +HMDB0048060 962.830241262 TG(14:1(9Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z)) C63H110O6 ZULICJDFTKHDTK-VCKFMQQUSA-N +HMDB0048067 958.798941133 TG(14:1(9Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H106O6 IBUWOVXDFGLFPQ-CCAJHUHLSA-N +HMDB0048068 900.850976706 TG(14:1(9Z)/24:1(15Z)/o-18:0) C59H112O5 MNMVLKRCYQXAJF-LRLRNOKKSA-N +HMDB0048075 882.767641004 TG(14:1(9Z)/18:2(9Z,12Z)/22:1(13Z)) C57H102O6 RQEKPMWGSCALDR-UQXSDYQWSA-N +HMDB0048079 852.720690811 TG(14:1(9Z)/18:2(9Z,12Z)/20:2n6) C55H96O6 FHMSYFQZXWGGAR-OKEXGHLUSA-N +HMDB0048082 880.75199094 TG(14:1(9Z)/18:2(9Z,12Z)/22:2(13Z,16Z)) C57H100O6 POHNOIJAASRKQU-DBWLQLOESA-N +HMDB0048096 852.720690811 TG(14:1(9Z)/18:3(6Z,9Z,12Z)/20:1(11Z)) C55H96O6 PHSOZYZQNQNQAK-CVHNYEHWSA-N +HMDB0048098 880.75199094 TG(14:1(9Z)/18:3(6Z,9Z,12Z)/22:1(13Z)) C57H100O6 CTDMUXKSVFRWMX-MPOJCHKNSA-N +HMDB0048119 882.767641004 TG(14:1(9Z)/20:2n6/20:1(11Z)) C57H102O6 YIKPYYUODQLYRB-ZTDVLWJBSA-N +HMDB0048122 938.830241262 TG(14:1(9Z)/20:2n6/24:1(15Z)) C61H110O6 QAVLFIAVSWNWOP-IZGZYJOESA-N +HMDB0048123 852.720690811 TG(14:1(9Z)/20:2n6/18:2(9Z,12Z)) C55H96O6 KTIVGYMIDNMKAU-OKEXGHLUSA-N +HMDB0048125 880.75199094 TG(14:1(9Z)/20:2n6/20:2n6) C57H100O6 GGESIZJOLUZGHM-DGZLZUMGSA-N +HMDB0048136 900.720690811 TG(14:1(9Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C59H96O6 YSZSTRFCTSGBDD-CZSLTIDLSA-N +HMDB0048137 842.772726384 TG(14:1(9Z)/20:2n6/o-18:0) C55H102O5 UHVCAEYDCRIXKY-GTWSWVPXSA-N +HMDB0048140 852.720690811 TG(14:1(9Z)/20:3n6/18:1(11Z)) C55H96O6 KIAYIOGNKVRZDY-MWFUTKLXSA-N +HMDB0048141 852.720690811 TG(14:1(9Z)/20:3n6/18:1(9Z)) C55H96O6 ZQQGMCWVFPHUPJ-BWMZTZCRSA-N +HMDB0048142 880.75199094 TG(14:1(9Z)/20:3n6/20:1(11Z)) C57H100O6 JBTOLUCASDBORC-IFIBPCQDSA-N +HMDB0048153 900.720690811 TG(14:1(9Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)) C59H96O6 BQSSPIJIQXOSMQ-NMOUIXIHSA-N +HMDB0048158 900.720690811 TG(14:1(9Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)) C59H96O6 HNZNHYGZYKXHHL-VZSZECGFSA-N +HMDB0048175 900.720690811 TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) C59H96O6 BOGNZWFVCFWTDN-AYZOBELKSA-N +HMDB0048183 838.741426256 TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0) C55H98O5 IXEARPXRHLLVNK-YOOXGPEZSA-N +HMDB0048186 882.767641004 TG(14:1(9Z)/22:2(13Z,16Z)/18:1(11Z)) C57H102O6 QCKZCPLWSOKIIF-PVVBFDGQSA-N +HMDB0048187 882.767641004 TG(14:1(9Z)/22:2(13Z,16Z)/18:1(9Z)) C57H102O6 JBLLHDWARKBXDR-CPRBWVNASA-N +HMDB0048190 938.830241262 TG(14:1(9Z)/22:2(13Z,16Z)/22:1(13Z)) C61H110O6 XJPANQUZKYHYSG-IZGZYJOESA-N +HMDB0048191 966.861541391 TG(14:1(9Z)/22:2(13Z,16Z)/24:1(15Z)) C63H114O6 XVGWHPBTFCPJEQ-QDUPTCFUSA-N +HMDB0048192 880.75199094 TG(14:1(9Z)/22:2(13Z,16Z)/18:2(9Z,12Z)) C57H100O6 FRHNALHHTGKIGG-DBWLQLOESA-N +HMDB0048206 870.804026513 TG(14:1(9Z)/22:2(13Z,16Z)/o-18:0) C57H106O5 QAKLYWYMXOZHCJ-OFNFBCEFSA-N +HMDB0048214 962.830241262 TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z)) C63H110O6 FZZMMDPBSSQSEG-XQVJMJGESA-N +HMDB0048219 900.720690811 TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C59H96O6 ATDIOVCHAKPQSA-KDIYWSEJSA-N +HMDB0048225 900.720690811 TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C59H96O6 PORHNNNMYDBBOL-RQWJTOPSSA-N +HMDB0048228 924.720690811 TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H96O6 SHVMTKJCJPSWEE-ZOBJIUJLSA-N +HMDB0048229 866.772726384 TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0) C57H102O5 CSTLHGPIWNGXFJ-NIQJBCCESA-N +HMDB0048235 900.720690811 TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)) C59H96O6 CYKDFWCGVFNUQI-DSHBHQPWSA-N +HMDB0048241 900.720690811 TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6) C59H96O6 OGZXEGHARYHFNG-IYMPOHDZSA-N +HMDB0048245 924.720690811 TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C61H96O6 HQPIWUWUVGDNOG-GBFMYBBHSA-N +HMDB0048250 924.720690811 TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C61H96O6 LMIVETVBRASKSZ-FHNQSGEISA-N +HMDB0048257 852.720690811 TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:1(11Z)) C55H96O6 DSZMYGQJZQQSEL-XDBIBJELSA-N +HMDB0048259 880.75199094 TG(14:1(9Z)/18:3(9Z,12Z,15Z)/22:1(13Z)) C57H100O6 YEHPWJBHXFGRBU-OCOJWXJXSA-N +HMDB0048313 900.720690811 TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C59H96O6 GWAVHAUKODFLGT-UCPRMEQRSA-N +HMDB0048321 838.741426256 TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0) C55H98O5 PRBBZGQORJEBML-HTNVVQHESA-N +HMDB0048350 900.720690811 TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)) C59H96O6 URNTVXPNKOGORD-LWPHQFSZSA-N +HMDB0048356 900.720690811 TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6) C59H96O6 JQLUSEPGRGEFIO-MOHFFBQJSA-N +HMDB0048360 924.720690811 TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C61H96O6 YAQCQKUWLQDYCJ-UOVCUKENSA-N +HMDB0048365 924.720690811 TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C61H96O6 SGGVBZZJDDBPJU-XEBVSVNESA-N +HMDB0048375 958.798941133 TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) C63H106O6 UYTLNZBFEBCSPM-XXJASNBMSA-N +HMDB0048378 900.720690811 TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6) C59H96O6 BTSPSCRQQWFSPQ-OFQAGCFRSA-N +HMDB0048382 924.720690811 TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C61H96O6 LVLJROQTWFUTBY-OUOQRASRSA-N +HMDB0048398 900.850976706 TG(14:1(9Z)/o-18:0/24:1(15Z)) C59H112O5 XNHWYHFYYUALLY-UHLYPTQTSA-N +HMDB0048401 842.772726384 TG(14:1(9Z)/o-18:0/20:2n6) C55H102O5 OYGBKABOKBWAOA-PWMLTBMOSA-N +HMDB0048403 838.741426256 TG(14:1(9Z)/o-18:0/20:4(5Z,8Z,11Z,14Z)) C55H98O5 UBYXSIWFCYZTHX-MCHRJMMYSA-N +HMDB0048404 870.804026513 TG(14:1(9Z)/o-18:0/22:2(13Z,16Z)) C57H106O5 NWUHDVPEYQTVME-RRVGRDLBSA-N +HMDB0048405 866.772726384 TG(14:1(9Z)/o-18:0/22:4(7Z,10Z,13Z,16Z)) C57H102O5 LWCKIESQXRPOHD-HEYFZOEJSA-N +HMDB0048409 838.741426256 TG(14:1(9Z)/o-18:0/20:4(8Z,11Z,14Z,17Z)) C55H98O5 YKKMFXGDUMHZFK-TVHVYOQCSA-N +HMDB0048425 856.75199094 TG(16:1(9Z)/14:0/22:2(13Z,16Z)) C55H100O6 PPLCXIXCJSJOOR-QPRILOHKSA-N +HMDB0048426 852.720690811 TG(16:1(9Z)/14:0/22:4(7Z,10Z,13Z,16Z)) C55H96O6 MDXVSMKNQLMYQZ-MUYBOSFNSA-N +HMDB0048444 842.736340876 TG(16:1(9Z)/15:0/20:2n6) C54H98O6 WVBFGMOFOIEXMP-QJWNQIOASA-N +HMDB0048457 802.70504074 TG(16:1(9Z)/16:0/16:1(9Z)) C51H94O6 XYKBFKVMVVJQIJ-IKJQKJQYSA-N +HMDB0048463 914.830241262 TG(16:1(9Z)/16:0/24:1(15Z)) C59H110O6 PPRQNLZEKMZHBT-FKSTTXIDSA-N +HMDB0048466 856.75199094 TG(16:1(9Z)/16:0/20:2n6) C55H100O6 NTANLNVWSGZVNG-MTFYTBQQSA-N +HMDB0048468 852.720690811 TG(16:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)) C55H96O6 MPJVJPDVMFMULD-XIXMKOIVSA-N +HMDB0048469 884.783291069 TG(16:1(9Z)/16:0/22:2(13Z,16Z)) C57H104O6 LGEZSPSFVTXJTF-MLJGIAGDSA-N +HMDB0048470 880.75199094 TG(16:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z)) C57H100O6 LRPHUHNPXZVJHC-ALZNIZKHSA-N +HMDB0048474 852.720690811 TG(16:1(9Z)/16:0/20:4(8Z,11Z,14Z,17Z)) C55H96O6 WRMBXJIECLAGIV-LGPIHYRSSA-N +HMDB0048483 882.767641004 TG(16:1(9Z)/18:0/20:3(5Z,8Z,11Z)) C57H102O6 IJAGVFPXKMAQRV-PGYKOVLESA-N +HMDB0048484 914.830241262 TG(16:1(9Z)/18:0/22:1(13Z)) C59H110O6 RKMYDQZHNDAFDU-VFBDGFDBSA-N +HMDB0048485 942.861541391 TG(16:1(9Z)/18:0/24:1(15Z)) C61H114O6 FLMVCURKTYUWQF-RHKJSXQCSA-N +HMDB0048488 884.783291069 TG(16:1(9Z)/18:0/20:2n6) C57H104O6 WACLWOAQCVZQHO-XXQKTQNQSA-N 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TG(16:1(9Z)/20:0/o-18:0) C57H110O5 PKWPXOXGYXWVKK-AYMZKUIOSA-N +HMDB0048524 914.830241262 TG(16:1(9Z)/22:0/18:1(11Z)) C59H110O6 SAZDDXQYEIJVSC-WXUBJASCSA-N +HMDB0048525 914.830241262 TG(16:1(9Z)/22:0/18:1(9Z)) C59H110O6 ZPJFCNOYMFWVHX-GXGVICTKSA-N +HMDB0048526 942.861541391 TG(16:1(9Z)/22:0/20:1(11Z)) C61H114O6 WJMXDOSYJOVEGP-DMQVVFPPSA-N +HMDB0048527 938.830241262 TG(16:1(9Z)/22:0/20:3(5Z,8Z,11Z)) C61H110O6 WAJPTWUYDRSLNY-HHGQFJELSA-N +HMDB0048528 970.89284152 TG(16:1(9Z)/22:0/22:1(13Z)) C63H118O6 CISSBQIGKKYEPB-ZCSYOJTKSA-N +HMDB0048532 940.845891326 TG(16:1(9Z)/22:0/20:2n6) C61H112O6 UOUKSIKNMFLSOA-XCRVDNAJSA-N +HMDB0048533 938.830241262 TG(16:1(9Z)/22:0/20:3n6) C61H110O6 JKXYRUMPRSILQY-PDGVUXAPSA-N +HMDB0048535 968.877191455 TG(16:1(9Z)/22:0/22:2(13Z,16Z)) C63H116O6 JKTCMEHHQOHFEA-HWEVJLRKSA-N +HMDB0048536 964.845891326 TG(16:1(9Z)/22:0/22:4(7Z,10Z,13Z,16Z)) C63H112O6 HSNAKNZDCUCCNE-WYEJDGEESA-N +HMDB0048537 962.830241262 TG(16:1(9Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H110O6 WBUNYBCPBJAPRX-IJYZMPSJSA-N +HMDB0048542 962.830241262 TG(16:1(9Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H110O6 FNBKULXEHXAYLR-DZRVHWHTSA-N +HMDB0048544 902.866626771 TG(16:1(9Z)/22:0/o-18:0) C59H114O5 ZTOPVHNXZUMKFI-COAUFNLESA-N +HMDB0048545 914.830241252 TG(16:1(9Z)/24:0/16:1(9Z)) C59H110O6 AKRDICGFDXTDDB-XFUYORNGSA-N +HMDB0048546 942.861541391 TG(16:1(9Z)/24:0/18:1(11Z)) C61H114O6 JNZLJJXCXKXIHT-XDOGSREESA-N +HMDB0048547 942.861541391 TG(16:1(9Z)/24:0/18:1(9Z)) C61H114O6 CSXWUPDTKWUFDD-JUFUZYQMSA-N +HMDB0048548 970.89284152 TG(16:1(9Z)/24:0/20:1(11Z)) C63H118O6 FNHNIQYRALAOKL-GCGFRPBCSA-N +HMDB0048549 966.861541391 TG(16:1(9Z)/24:0/20:3(5Z,8Z,11Z)) C63H114O6 ZNLDPPZYMIYAKR-MVMAAOOESA-N +HMDB0048552 940.845891326 TG(16:1(9Z)/24:0/18:2(9Z,12Z)) C61H112O6 SZWHHAMLCPVQHZ-WFESAASTSA-N +HMDB0048553 938.830241262 TG(16:1(9Z)/24:0/18:3(6Z,9Z,12Z)) C61H110O6 QZEYFZLPYNVHDI-JITPNZGCSA-N +HMDB0048554 968.877191455 TG(16:1(9Z)/24:0/20:2n6) C63H116O6 IKNAMSQXQLOJII-YQMKNMNOSA-N +HMDB0048555 966.861541391 TG(16:1(9Z)/24:0/20:3n6) C63H114O6 HEMRKPYNFGQFML-CWNCUYJFSA-N +HMDB0048556 964.845891326 TG(16:1(9Z)/24:0/20:4(5Z,8Z,11Z,14Z)) C63H112O6 YYVDCJLPCNWCCR-YOGIAVCXSA-N +HMDB0048560 938.830241262 TG(16:1(9Z)/24:0/18:3(9Z,12Z,15Z)) C61H110O6 QCFICBUSORBZMX-UVSJIQQOSA-N +HMDB0048562 964.845891326 TG(16:1(9Z)/24:0/20:4(8Z,11Z,14Z,17Z)) C63H112O6 KVBRKDKYGMSEEX-LXCNRSJASA-N +HMDB0048563 962.830241262 TG(16:1(9Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H110O6 LXMOBIJJRVVOQR-KRQGKKBVSA-N +HMDB0048572 856.75199094 TG(16:1(9Z)/14:1(9Z)/22:1(13Z)) C55H100O6 BDWAIWYOHVLVMF-RUTWIJPDSA-N +HMDB0048573 884.783291069 TG(16:1(9Z)/14:1(9Z)/24:1(15Z)) C57H104O6 VLLWHKDCWQXIBL-FQVFIEMGSA-N +HMDB0048593 852.720690811 TG(16:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z)) C55H96O6 LUNKFQMIUALALF-SSXZHBJOSA-N +HMDB0048594 884.783291069 TG(16:1(9Z)/16:1(9Z)/22:1(13Z)) C57H104O6 HJRVVCOWJQUKTM-GWYBQCJYSA-N +HMDB0048599 852.720690811 TG(16:1(9Z)/16:1(9Z)/20:3n6) C55H96O6 YLSQMGKHEUFXMJ-SXILZFAHSA-N +HMDB0048601 882.767641004 TG(16:1(9Z)/16:1(9Z)/22:2(13Z,16Z)) C57H102O6 YUBPSQNVVBRHKY-NYDKXWMXSA-N +HMDB0048612 856.75199094 TG(16:1(9Z)/18:1(11Z)/18:1(11Z)) C55H100O6 FVASQEUWMANRGF-KACSEKLOSA-N +HMDB0048613 856.75199094 TG(16:1(9Z)/18:1(11Z)/18:1(9Z)) C55H100O6 MGFTVBFRGRHBJX-NMARCYPWSA-N +HMDB0048614 884.783291069 TG(16:1(9Z)/18:1(11Z)/20:1(11Z)) C57H104O6 HVIQWNBZDUXPDM-LJQLTSPLSA-N +HMDB0048615 880.75199094 TG(16:1(9Z)/18:1(11Z)/20:3(5Z,8Z,11Z)) C57H100O6 JRNCFIBTWGMRER-XHYLUUIBSA-N +HMDB0048617 940.845891326 TG(16:1(9Z)/18:1(11Z)/24:1(15Z)) C61H112O6 OAYIGAFUEDTGGM-NVUSDZMUSA-N +HMDB0048618 854.736340876 TG(16:1(9Z)/18:1(11Z)/18:2(9Z,12Z)) C55H98O6 CREVCBCOPOOZEP-FJBDFYQDSA-N +HMDB0048619 852.720690811 TG(16:1(9Z)/18:1(11Z)/18:3(6Z,9Z,12Z)) C55H96O6 GJUYNZPMUHMLSD-CPBFSUFUSA-N +HMDB0048620 882.767641004 TG(16:1(9Z)/18:1(11Z)/20:2n6) C57H102O6 XTSQWTDQTZVALB-RLDWNXHBSA-N +HMDB0048621 880.75199094 TG(16:1(9Z)/18:1(11Z)/20:3n6) C57H100O6 ORNQRRXFGCNXPC-LGHBDGNLSA-N +HMDB0048626 852.720690811 TG(16:1(9Z)/18:1(11Z)/18:3(9Z,12Z,15Z)) C55H96O6 KDCKRLAPPIAVIP-KPKCWFFXSA-N +HMDB0048634 856.75199094 TG(16:1(9Z)/18:1(9Z)/18:1(11Z)) C55H100O6 FXVLQYFZVVLQJO-GDLLXJMDSA-N +HMDB0048637 880.75199094 TG(16:1(9Z)/18:1(9Z)/20:3(5Z,8Z,11Z)) C57H100O6 FJPOWCDSUMTJMY-HIGJHTSDSA-N +HMDB0048639 940.845891326 TG(16:1(9Z)/18:1(9Z)/24:1(15Z)) C61H112O6 OQYXMWZVMDPNIP-LTOBCQMGSA-N +HMDB0048641 852.720690811 TG(16:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z)) C55H96O6 BTLLBFZSJPKPDE-MXDHFGQXSA-N +HMDB0048642 882.767641004 TG(16:1(9Z)/18:1(9Z)/20:2n6) C57H102O6 ONYOXARKNBCDOW-UDEYGTCASA-N +HMDB0048643 880.75199094 TG(16:1(9Z)/18:1(9Z)/20:3n6) C57H100O6 QXRVJZIWSZYNFE-XAAVOVOVSA-N +HMDB0048648 852.720690811 TG(16:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z)) C55H96O6 CDPGTJRMESRMBM-HREIPWLJSA-N +HMDB0048655 856.751990932 TG(16:1(9Z)/20:1(11Z)/16:1(9Z)) C55H100O6 MONMKVNVVBWTKM-ULXWNTFBSA-N +HMDB0048656 884.783291069 TG(16:1(9Z)/20:1(11Z)/18:1(11Z)) C57H104O6 PXIRAQVGRSCHAE-LJQLTSPLSA-N +HMDB0048657 884.783291069 TG(16:1(9Z)/20:1(11Z)/18:1(9Z)) C57H104O6 BIPVSIKNOFBMKW-XYSPBAOWSA-N +HMDB0048660 940.845891326 TG(16:1(9Z)/20:1(11Z)/22:1(13Z)) C61H112O6 SFTJTIUAYCUEKQ-HGHZMINCSA-N +HMDB0048661 968.877191455 TG(16:1(9Z)/20:1(11Z)/24:1(15Z)) C63H116O6 WNUCOTRZBRFTHH-TZDGBVHQSA-N +HMDB0048662 882.767641004 TG(16:1(9Z)/20:1(11Z)/18:2(9Z,12Z)) C57H102O6 UKLOGABOYJJQSN-DPJFVPNFSA-N +HMDB0048663 880.75199094 TG(16:1(9Z)/20:1(11Z)/18:3(6Z,9Z,12Z)) C57H100O6 NAKJXCQFDQFGQP-MMLNGJMZSA-N +HMDB0048667 938.830241262 TG(16:1(9Z)/20:1(11Z)/22:2(13Z,16Z)) C61H110O6 RFURIDCRDPRIJL-CMFUBODHSA-N +HMDB0048670 880.75199094 TG(16:1(9Z)/20:1(11Z)/18:3(9Z,12Z,15Z)) C57H100O6 JSYBHNVWTXAJTA-DYGHEFCSSA-N +HMDB0048677 852.720690804 TG(16:1(9Z)/20:3(5Z,8Z,11Z)/16:1(9Z)) C55H96O6 AUMXQCVFWSNALF-PMEIDYDXSA-N +HMDB0048678 880.75199094 TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:1(11Z)) C57H100O6 HRCLBQUOANENCJ-NXKBWLDRSA-N +HMDB0048679 880.75199094 TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z)) C57H100O6 BRUKBMVWXMWLGD-BRFUKUAZSA-N +HMDB0048683 964.845891326 TG(16:1(9Z)/20:3(5Z,8Z,11Z)/24:1(15Z)) C63H112O6 KGQWRGYSBBEKHB-WCSUGQLZSA-N +HMDB0048695 900.720690811 TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C59H96O6 YKSVCFOMADIPHE-ZQVSYAHOSA-N +HMDB0048698 868.788376449 TG(16:1(9Z)/20:3(5Z,8Z,11Z)/o-18:0) C57H104O5 JTOXJDDZUMEKEU-MEZFIFTBSA-N +HMDB0048699 884.78329106 TG(16:1(9Z)/22:1(13Z)/16:1(9Z)) C57H104O6 DFMOOXJLNYMJDV-ULXWNTFBSA-N +HMDB0048702 940.845891326 TG(16:1(9Z)/22:1(13Z)/20:1(11Z)) C61H112O6 LKBYQEQTTQMXOC-HGHZMINCSA-N +HMDB0048704 968.877191455 TG(16:1(9Z)/22:1(13Z)/22:1(13Z)) C63H116O6 ZZBKGDIMYDDPOX-TZDGBVHQSA-N +HMDB0048708 938.830241262 TG(16:1(9Z)/22:1(13Z)/20:2n6) C61H110O6 RVCBRFVHTZWGMW-ASHUIHEYSA-N +HMDB0048711 966.861541391 TG(16:1(9Z)/22:1(13Z)/22:2(13Z,16Z)) C63H114O6 BOXFXXYECNCIFC-WWFHVJJSSA-N +HMDB0048712 962.830241262 TG(16:1(9Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z)) C63H110O6 CHXNIWLFFFQXQY-WJGYWGQGSA-N +HMDB0048719 958.798941133 TG(16:1(9Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H106O6 LXYLTKFBCPXRRN-HDIRYVEKSA-N +HMDB0048720 900.850976706 TG(16:1(9Z)/22:1(13Z)/o-18:0) C59H112O5 UCAVRBQATPCINL-WOQPDSBWSA-N +HMDB0048722 940.845891326 TG(16:1(9Z)/24:1(15Z)/18:1(11Z)) C61H112O6 STEWTUZWAFGDIQ-NVUSDZMUSA-N +HMDB0048723 940.845891326 TG(16:1(9Z)/24:1(15Z)/18:1(9Z)) C61H112O6 IDVKFTSFXLYDBH-LTOBCQMGSA-N +HMDB0048724 968.877191455 TG(16:1(9Z)/24:1(15Z)/20:1(11Z)) C63H116O6 AQYFFCAUDMUBEY-TZDGBVHQSA-N +HMDB0048725 964.845891326 TG(16:1(9Z)/24:1(15Z)/20:3(5Z,8Z,11Z)) C63H112O6 OXIPRMUYAGLPPY-ZYXFBPIPSA-N +HMDB0048728 938.830241262 TG(16:1(9Z)/24:1(15Z)/18:2(9Z,12Z)) C61H110O6 HQJQLIWBFMBNJL-KZRWCJBRSA-N +HMDB0048730 966.861541391 TG(16:1(9Z)/24:1(15Z)/20:2n6) C63H114O6 ZULRYZCUNGPAHY-BFNALKGSSA-N +HMDB0048731 964.845891326 TG(16:1(9Z)/24:1(15Z)/20:3n6) C63H112O6 PKTUULQXDIEYDT-IXCCZORYSA-N +HMDB0048732 962.830241262 TG(16:1(9Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z)) C63H110O6 MYSDZTIORDWFIW-NGIVGCJJSA-N +HMDB0048738 962.830241262 TG(16:1(9Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z)) C63H110O6 GCZJDCKDLSIPSW-FHYOPNKYSA-N +HMDB0048742 928.882276835 TG(16:1(9Z)/24:1(15Z)/o-18:0) C61H116O5 OXJWMXOKVXQQKX-JLSFSZCSSA-N +HMDB0048749 938.830241262 TG(16:1(9Z)/18:2(9Z,12Z)/24:1(15Z)) C61H110O6 SPGXNOUOYUPBSF-KZRWCJBRSA-N +HMDB0048752 880.75199094 TG(16:1(9Z)/18:2(9Z,12Z)/20:2n6) C57H100O6 PASRUCZTFLIYBM-VHWXVXHCSA-N +HMDB0048763 900.720690811 TG(16:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C59H96O6 NPWRXJYSKONMPV-SRVQGIHESA-N +HMDB0048764 842.772726384 TG(16:1(9Z)/18:2(9Z,12Z)/o-18:0) C55H102O5 ZJUJYFBFJFLODJ-PLBCZWSDSA-N +HMDB0048766 852.720690811 TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:1(11Z)) C55H96O6 HJJGKDWWDQGJME-CKJOLKHOSA-N +HMDB0048767 852.720690811 TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:1(9Z)) C55H96O6 XUOLMCLGWGLYGT-APUPBLNDSA-N +HMDB0048768 880.75199094 TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:1(11Z)) C57H100O6 WXMOURHYAWKCON-SQKVJRQFSA-N +HMDB0048779 900.720690811 TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C59H96O6 YSXJWNGVILWQDX-AVCRWDDHSA-N +HMDB0048784 900.720690811 TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C59H96O6 XEVQMHZJFRSFOB-KAJSVWELSA-N +HMDB0048788 882.767641004 TG(16:1(9Z)/20:2n6/18:1(11Z)) C57H102O6 AWXBRFPKZQLDSI-RLDWNXHBSA-N +HMDB0048789 882.767641004 TG(16:1(9Z)/20:2n6/18:1(9Z)) C57H102O6 GARPFACGXFDLSO-UDEYGTCASA-N +HMDB0048792 938.830241262 TG(16:1(9Z)/20:2n6/22:1(13Z)) C61H110O6 JQBAEHAUBJDGSF-ASHUIHEYSA-N +HMDB0048793 966.861541391 TG(16:1(9Z)/20:2n6/24:1(15Z)) C63H114O6 ZUPXIIFMWPFTKM-BFNALKGSSA-N +HMDB0048794 880.75199094 TG(16:1(9Z)/20:2n6/18:2(9Z,12Z)) C57H100O6 VBUYAWOUEDDBBW-VHWXVXHCSA-N +HMDB0048808 870.804026513 TG(16:1(9Z)/20:2n6/o-18:0) C57H106O5 HMGFDNAQAKGKOT-HPLDLCQESA-N +HMDB0048809 852.720690804 TG(16:1(9Z)/20:3n6/16:1(9Z)) C55H96O6 HVCCNWVJBNTHRL-DAOTZBDISA-N +HMDB0048810 880.75199094 TG(16:1(9Z)/20:3n6/18:1(11Z)) C57H100O6 HKADKLQZXQXYER-LRTSRMLQSA-N +HMDB0048811 880.75199094 TG(16:1(9Z)/20:3n6/18:1(9Z)) C57H100O6 NRHVUGOGJJHYKY-DVKFFMGFSA-N +HMDB0048815 964.845891326 TG(16:1(9Z)/20:3n6/24:1(15Z)) C63H112O6 KMLLHGHUQWACBE-FBBDNOKLSA-N +HMDB0048827 900.720690811 TG(16:1(9Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)) C59H96O6 VKYKIUHFHBYWIQ-WBLOQSKGSA-N +HMDB0048830 868.788376449 TG(16:1(9Z)/20:3n6/o-18:0) C57H104O5 PTGPQOIWPOHYSI-AHPWZIASSA-N +HMDB0048837 962.830241262 TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z)) C63H110O6 FFSBYDWZGXLHOR-ZIMBHKEYSA-N +HMDB0048848 900.720690811 TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) C59H96O6 IEMZZKBCGPBDKP-CWEVJLAESA-N +HMDB0048851 924.720690811 TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H96O6 WHDYIBJFERAONB-SLMFPZSOSA-N +HMDB0048852 866.772726384 TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0) C57H102O5 AHGKMUVICCTCFM-XJGXMFLQSA-N +HMDB0048853 882.767640996 TG(16:1(9Z)/22:2(13Z,16Z)/16:1(9Z)) C57H102O6 FLBFFPPBNOZWBA-BGWVPBAESA-N +HMDB0048856 938.830241262 TG(16:1(9Z)/22:2(13Z,16Z)/20:1(11Z)) C61H110O6 GRFDFSAMUSSDRA-CMFUBODHSA-N +HMDB0048858 966.861541391 TG(16:1(9Z)/22:2(13Z,16Z)/22:1(13Z)) C63H114O6 FMHGBFIQGMDKBC-BFNALKGSSA-N +HMDB0048865 964.845891326 TG(16:1(9Z)/22:2(13Z,16Z)/22:2(13Z,16Z)) C63H112O6 QETBIRGBJSNBME-MPCQGPNJSA-N +HMDB0048867 958.798941133 TG(16:1(9Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H106O6 ADSZQKQPUVZHRL-ULNWCINRSA-N +HMDB0048872 958.798941133 TG(16:1(9Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H106O6 GKWLUOVARMAZKA-UOHHMHFFSA-N +HMDB0048873 956.783291069 TG(16:1(9Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H104O6 RECDMXVWMLBZBY-GFAYSUQHSA-N +HMDB0048880 962.830241262 TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:1(13Z)) C63H110O6 KTSYFYGEYMWJBJ-ULGUCPNJSA-N +HMDB0048888 956.783291069 TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) C63H104O6 BTOBAOSWLQZTFQ-GVPZLZGYSA-N +HMDB0048889 954.767641004 TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H102O6 HRONLDWOZFWEAB-KLVOIOIWSA-N +HMDB0048891 900.720690811 TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C59H96O6 MORKMZKGDIIIBY-MNVCBLJSSA-N +HMDB0048894 954.767641004 TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 DOETYUIYWRXHRJ-JYEHIATOSA-N +HMDB0048895 952.75199094 TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 DQYVDSPZECGLKR-QTHMJOIUSA-N +HMDB0048905 900.720690811 TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) C59H96O6 KFAZITXLGUDPHA-ZMHLKARHSA-N +HMDB0048909 958.798941133 TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)) C63H106O6 VFICNLJKIFKMLD-KSLLCSTHSA-N +HMDB0048910 954.767641004 TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) C63H102O6 HWAKFXXPMACHCN-RXHBPMBHSA-N +HMDB0048911 952.75199094 TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H100O6 DFWFUERTQLGULG-LHMCCVTQSA-N +HMDB0048912 900.720690811 TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C59H96O6 ZAIUAHMIZJWRPI-IKHVCVBUSA-N +HMDB0048915 924.720690811 TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C61H96O6 STBZEPVDQQTJQY-XEJHRLJHSA-N +HMDB0048916 952.75199094 TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H100O6 HCOXAOVJODNXKR-QQWYGIRHSA-N +HMDB0048920 852.720690811 TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:1(11Z)) C55H96O6 KHIGDHJAAJSAMT-DEFSSQSYSA-N +HMDB0048921 852.720690811 TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:1(9Z)) C55H96O6 SBMGSPMUZLTYRO-DKVKFSAXSA-N +HMDB0048922 880.75199094 TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:1(11Z)) C57H100O6 ITVZPSFYQXIRPA-DYGHEFCSSA-N +HMDB0048933 900.720690811 TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C59H96O6 PTGPWEGIOWAQLD-CADKDOPRSA-N +HMDB0048938 900.720690811 TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C59H96O6 HYGBWSXRFZKWPT-NZLVLWAVSA-N +HMDB0048954 900.720690811 TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) C59H96O6 SHCRBDGMFUJKHT-OWRCNMJSSA-N +HMDB0048962 838.741426256 TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0) C55H98O5 BUIOKWYGCCSIHR-IGSOARKHSA-N +HMDB0048969 962.830241262 TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z)) C63H110O6 MXQGPSRZEDBAOD-NLHFJXCOSA-N +HMDB0048974 900.720690811 TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) C59H96O6 SHWWTBXHUVHNGT-ZQMQYPPLSA-N +HMDB0048980 900.720690811 TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C59H96O6 VQLVXVCYSYIBGT-VXBCCVGUSA-N +HMDB0048983 924.720690811 TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H96O6 ZGCGJLBXPCKHOS-GALCDWOWSA-N +HMDB0048984 866.772726384 TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0) C57H102O5 QMXKKHSUBLMCBY-IIAASTAYSA-N +HMDB0048989 900.720690811 TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) C59H96O6 JNHLCTFBNVEPGE-IKQMSQSISA-N +HMDB0048995 900.720690811 TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6) C59H96O6 KTXCVHLICBKPGH-NZSINWCFSA-N +HMDB0048999 924.720690811 TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C61H96O6 YKWQPKBPMIZKRY-FNWLPWPMSA-N +HMDB0049004 924.720690811 TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C61H96O6 ABRDLWYBZGTCTL-XBPNRUQUSA-N +HMDB0049015 900.720690811 TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) C59H96O6 JFKSTJCBEDXQKN-PPOXFNLUSA-N +HMDB0049019 958.798941133 TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)) C63H106O6 MVZLNTWQSMVSCH-FZRWNLIVSA-N +HMDB0049020 954.767641004 TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C63H102O6 RZPLQHKENQFELH-XHYUVWMJSA-N +HMDB0049021 952.75199094 TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H100O6 VFQVWRHDXMNZND-NQLZIQBXSA-N +HMDB0049022 900.720690811 TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C59H96O6 PVBOVZWBGFRMPX-YNYUJYHNSA-N +HMDB0049025 924.720690811 TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C61H96O6 ZGPVKACJWPEIIR-OILKAXGNSA-N +HMDB0049026 952.75199094 TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H100O6 FBNGTCSJDMTOOZ-XKFIDWOSSA-N +HMDB0049034 958.798941133 TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z)) C63H106O6 AEDDMHLQFFOWDJ-WPRTYRIVSA-N +HMDB0049036 900.720690811 TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) C59H96O6 RXPNRICKBTZRQQ-MZPJDRBRSA-N +HMDB0049040 924.720690811 TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C61H96O6 CVASUUQYQOXYSJ-FULWPQASSA-N +HMDB0049041 956.783291069 TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)) C63H104O6 FXJCGDYWDDAGPZ-VYERSXOXSA-N +HMDB0049042 952.75199094 TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C63H100O6 OFTAFMFOCJTPKP-TVWKUVFGSA-N +HMDB0049046 924.720690811 TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C61H96O6 JYBNKTCMSXGTGD-DTZQEWFRSA-N +HMDB0049055 868.788376449 TG(16:1(9Z)/o-18:0/20:3(5Z,8Z,11Z)) C57H104O5 LNKHZBGNOPRSQH-HNFYWPACSA-N +HMDB0049056 900.850976706 TG(16:1(9Z)/o-18:0/22:1(13Z)) C59H112O5 OEZUXFLSEGCWIE-UJLKRNAFSA-N +HMDB0049057 928.882276835 TG(16:1(9Z)/o-18:0/24:1(15Z)) C61H116O5 FPWUJNGGVATCPT-DMHUCQSQSA-N +HMDB0049058 842.772726384 TG(16:1(9Z)/o-18:0/18:2(9Z,12Z)) C55H102O5 PSHWARYKXDUDSM-UWFRZUFNSA-N +HMDB0049060 870.804026513 TG(16:1(9Z)/o-18:0/20:2n6) C57H106O5 WXYYNUWVWHESOG-SETUNUADSA-N +HMDB0049061 868.788376449 TG(16:1(9Z)/o-18:0/20:3n6) C57H104O5 FPTNHTUUMDTEJR-YESDNOKMSA-N +HMDB0049062 866.772726384 TG(16:1(9Z)/o-18:0/20:4(5Z,8Z,11Z,14Z)) C57H102O5 NMFGLZJGDVTWFX-XHSZMQQESA-N +HMDB0049067 838.741426256 TG(16:1(9Z)/o-18:0/18:4(6Z,9Z,12Z,15Z)) C55H98O5 SSKQGMAHQBYKGA-HWFCSVFLSA-N +HMDB0049068 866.772726384 TG(16:1(9Z)/o-18:0/20:4(8Z,11Z,14Z,17Z)) C57H102O5 LNXIGBSVBNTNGO-RNSYOBJXSA-N +HMDB0049077 914.830241262 TG(18:1(11Z)/14:0/24:1(15Z)) C59H110O6 FCEBICVTRXFYLZ-FRHRWYISSA-N +HMDB0049080 856.75199094 TG(18:1(11Z)/14:0/20:2n6) C55H100O6 COWOCJLJJIQXGS-RFTPNAAMSA-N +HMDB0049082 852.720690811 TG(18:1(11Z)/14:0/20:4(5Z,8Z,11Z,14Z)) C55H96O6 WWCDEFDAYUEHDA-OKQKBTIDSA-N +HMDB0049083 884.783291069 TG(18:1(11Z)/14:0/22:2(13Z,16Z)) C57H104O6 CLRWKONSSADDAS-CGBZTZCNSA-N +HMDB0049084 880.75199094 TG(18:1(11Z)/14:0/22:4(7Z,10Z,13Z,16Z)) C57H100O6 NXOBVWVEMROHRA-WFLHAWLWSA-N +HMDB0049088 852.720690811 TG(18:1(11Z)/14:0/20:4(8Z,11Z,14Z,17Z)) C55H96O6 QQGXWCCPNYCUGW-BNDMSUNUSA-N +HMDB0049099 842.736340876 TG(18:1(11Z)/15:0/18:2(9Z,12Z)) C54H98O6 PIYNNEKPAVFCLZ-FSYTWVSBSA-N +HMDB0049104 898.798941133 TG(18:1(11Z)/15:0/22:2(13Z,16Z)) C58H106O6 DZYJOMOZYGTRHJ-HNBAGWGBSA-N +HMDB0049117 882.767641004 TG(18:1(11Z)/16:0/20:3(5Z,8Z,11Z)) C57H102O6 OUQVHWIIFCXSRJ-BXFOAEPDSA-N +HMDB0049118 914.830241262 TG(18:1(11Z)/16:0/22:1(13Z)) C59H110O6 KGCKCEDJXPOMSE-JSPVYFJMSA-N +HMDB0049119 942.861541391 TG(18:1(11Z)/16:0/24:1(15Z)) C61H114O6 QMUSPYPGMAYRTR-GKJJFOOMSA-N +HMDB0049122 884.783291069 TG(18:1(11Z)/16:0/20:2n6) C57H104O6 QURCKNKEXAUCID-VXLYYTGTSA-N +HMDB0049123 882.767641004 TG(18:1(11Z)/16:0/20:3n6) C57H102O6 GLBKLCZHEXMDML-GGGLHGFASA-N +HMDB0049129 852.720690811 TG(18:1(11Z)/16:0/18:4(6Z,9Z,12Z,15Z)) C55H96O6 ACPCBDGMDMCVRO-QOWKEDLHSA-N +HMDB0049130 880.75199094 TG(18:1(11Z)/16:0/20:4(8Z,11Z,14Z,17Z)) C57H100O6 NBXZHICDXWJXHJ-DOECFCCQSA-N +HMDB0049137 914.830241262 TG(18:1(11Z)/18:0/20:1(11Z)) C59H110O6 QFNUIDSUZKRNIE-RNVNXQLBSA-N +HMDB0049139 942.861541391 TG(18:1(11Z)/18:0/22:1(13Z)) C61H114O6 DDQPMPZGDGZDLB-JALZRBNSSA-N +HMDB0049140 970.89284152 TG(18:1(11Z)/18:0/24:1(15Z)) C63H118O6 ZKVCIPCWALLPQC-JFTSYQGJSA-N +HMDB0049142 882.767641004 TG(18:1(11Z)/18:0/18:3(6Z,9Z,12Z)) C57H102O6 AIJGPUXXVZKCOC-QRKCIAQMSA-N +HMDB0049146 940.845891326 TG(18:1(11Z)/18:0/22:2(13Z,16Z)) C61H112O6 HJLYLYOJMWMVLA-YJOVGJGPSA-N +HMDB0049149 882.767641004 TG(18:1(11Z)/18:0/18:3(9Z,12Z,15Z)) C57H102O6 BZAUSRZLPIJRHO-OYDPGXKPSA-N +HMDB0049150 880.75199094 TG(18:1(11Z)/18:0/18:4(6Z,9Z,12Z,15Z)) C57H100O6 DNMGYNOZYHVTMB-HGTYTGFRSA-N +HMDB0049155 874.835326642 TG(18:1(11Z)/18:0/o-18:0) C57H110O5 KJOJFBLODPQJLX-ORXJQOAGSA-N +HMDB0049156 914.830241252 TG(18:1(11Z)/20:0/18:1(11Z)) C59H110O6 MIAUUKZRJAXLRT-XFUYORNGSA-N +HMDB0049157 914.830241262 TG(18:1(11Z)/20:0/18:1(9Z)) C59H110O6 KMXCXZGPKXMYER-ZJHNNUDUSA-N +HMDB0049158 942.861541391 TG(18:1(11Z)/20:0/20:1(11Z)) C61H114O6 RMYOOEULFAUMKN-XURCBCPLSA-N +HMDB0049159 938.830241262 TG(18:1(11Z)/20:0/20:3(5Z,8Z,11Z)) C61H110O6 RUUBPRONLULDIJ-AIQBBPGJSA-N +HMDB0049160 970.89284152 TG(18:1(11Z)/20:0/22:1(13Z)) C63H118O6 BDNLTRKYOYVEEN-WCGXTGDWSA-N +HMDB0049164 940.845891326 TG(18:1(11Z)/20:0/20:2n6) C61H112O6 MCTZBSNODNYQBM-OEMAFOEQSA-N +HMDB0049165 938.830241262 TG(18:1(11Z)/20:0/20:3n6) C61H110O6 HYPRJUDAMZSDSL-YQEKJALISA-N +HMDB0049167 968.877191455 TG(18:1(11Z)/20:0/22:2(13Z,16Z)) C63H116O6 ZDRCFAZKFWDKNW-LTSCPUBNSA-N +HMDB0049168 964.845891326 TG(18:1(11Z)/20:0/22:4(7Z,10Z,13Z,16Z)) C63H112O6 UYEMGSOIPJXIHT-QUTOEGKMSA-N +HMDB0049169 962.830241262 TG(18:1(11Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H110O6 GNQOPFBPJFYLEN-ZXZGDFTBSA-N +HMDB0049174 962.830241262 TG(18:1(11Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H110O6 PNELOFAUJCQISE-CTDBYVDHSA-N +HMDB0049176 902.866626771 TG(18:1(11Z)/20:0/o-18:0) C59H114O5 UORVMJWANGGOMW-COAUFNLESA-N +HMDB0049177 942.86154138 TG(18:1(11Z)/22:0/18:1(11Z)) C61H114O6 RKIWUSSRNOMOHK-XFUYORNGSA-N +HMDB0049178 942.861541391 TG(18:1(11Z)/22:0/18:1(9Z)) C61H114O6 GFFLZJLHLVDXFE-LHKBXGIASA-N +HMDB0049179 970.89284152 TG(18:1(11Z)/22:0/20:1(11Z)) C63H118O6 CCPVIYZRYMYSQZ-YVGCHGTOSA-N +HMDB0049180 966.861541391 TG(18:1(11Z)/22:0/20:3(5Z,8Z,11Z)) C63H114O6 WSXKYZANGLDIKE-YZMOLHRRSA-N +HMDB0049183 940.845891326 TG(18:1(11Z)/22:0/18:2(9Z,12Z)) C61H112O6 UEZYCMFLJSEDEB-IUDYXZLCSA-N +HMDB0049184 938.830241262 TG(18:1(11Z)/22:0/18:3(6Z,9Z,12Z)) C61H110O6 LAGWHQFUVYNWQJ-LEVMJDGGSA-N +HMDB0049185 968.877191455 TG(18:1(11Z)/22:0/20:2n6) C63H116O6 PJUDTLQEZCEYBU-UOKIHHONSA-N +HMDB0049186 966.861541391 TG(18:1(11Z)/22:0/20:3n6) C63H114O6 KBTUAEPMBMZEAT-GJPADJMISA-N +HMDB0049187 964.845891326 TG(18:1(11Z)/22:0/20:4(5Z,8Z,11Z,14Z)) C63H112O6 GPRNIHMMZUKOCG-UJZJWDKFSA-N +HMDB0049191 938.830241262 TG(18:1(11Z)/22:0/18:3(9Z,12Z,15Z)) C61H110O6 UGOUYCBMFPBXOX-VKCGIOIVSA-N +HMDB0049193 964.845891326 TG(18:1(11Z)/22:0/20:4(8Z,11Z,14Z,17Z)) C63H112O6 ZGUXKEKZSSEOPN-GPMKWKPKSA-N +HMDB0049194 962.830241262 TG(18:1(11Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H110O6 WZCUNFYCFDLHNZ-FPOJOZEWSA-N +HMDB0049198 970.892841508 TG(18:1(11Z)/24:0/18:1(11Z)) C63H118O6 NZJOZQGTEOIRPE-XFUYORNGSA-N +HMDB0049199 970.89284152 TG(18:1(11Z)/24:0/18:1(9Z)) C63H118O6 ADBUUCLFUXNJAT-YNFXCUKVSA-N +HMDB0049204 968.877191455 TG(18:1(11Z)/24:0/18:2(9Z,12Z)) C63H116O6 OKYXKQWJBHHXBC-ZZLUDCBUSA-N +HMDB0049205 966.861541391 TG(18:1(11Z)/24:0/18:3(6Z,9Z,12Z)) C63H114O6 RVALMDYIOYYMPN-UDBROKPMSA-N +HMDB0049212 966.861541391 TG(18:1(11Z)/24:0/18:3(9Z,12Z,15Z)) C63H114O6 ZVECOVJZJMOJSN-XITMOLFCSA-N +HMDB0049213 964.845891326 TG(18:1(11Z)/24:0/18:4(6Z,9Z,12Z,15Z)) C63H112O6 AMXNXQFOJFMVAP-YGFWICIISA-N +HMDB0049218 958.929227028 TG(18:1(11Z)/24:0/o-18:0) C63H122O5 ZCWCOELIGJYADE-NYINCGHRSA-N +HMDB0049221 856.75199094 TG(18:1(11Z)/14:1(9Z)/20:1(11Z)) C55H100O6 SEJBPZVTMDKZMT-WWAUBUJQSA-N +HMDB0049222 852.720690811 TG(18:1(11Z)/14:1(9Z)/20:3(5Z,8Z,11Z)) C55H96O6 OYVIPANDVFEMEV-QNBZKHKPSA-N +HMDB0049223 884.783291069 TG(18:1(11Z)/14:1(9Z)/22:1(13Z)) C57H104O6 PPGYTWCQPFGHHF-QSCSLWOISA-N +HMDB0049228 852.720690811 TG(18:1(11Z)/14:1(9Z)/20:3n6) C55H96O6 OFXPDVFCVMOXOI-MWFUTKLXSA-N +HMDB0049230 882.767641004 TG(18:1(11Z)/14:1(9Z)/22:2(13Z,16Z)) C57H102O6 ISZIDYGJUZQXDR-PVVBFDGQSA-N +HMDB0049242 884.783291069 TG(18:1(11Z)/16:1(9Z)/20:1(11Z)) C57H104O6 NUQXGTMHWLBOFD-LJQLTSPLSA-N +HMDB0049243 880.75199094 TG(18:1(11Z)/16:1(9Z)/20:3(5Z,8Z,11Z)) C57H100O6 ITWXUAWJAMUWRI-DLWBBAJCSA-N +HMDB0049245 940.845891326 TG(18:1(11Z)/16:1(9Z)/24:1(15Z)) C61H112O6 KRNIAXVTJSTDFH-NVUSDZMUSA-N +HMDB0049247 852.720690811 TG(18:1(11Z)/16:1(9Z)/18:3(6Z,9Z,12Z)) C55H96O6 YOEDLSRYINEBNN-OQMRYGIWSA-N +HMDB0049248 882.767641004 TG(18:1(11Z)/16:1(9Z)/20:2n6) C57H102O6 XDWSGZHSFJBWFG-RLDWNXHBSA-N +HMDB0049249 880.75199094 TG(18:1(11Z)/16:1(9Z)/20:3n6) C57H100O6 VCTYSQSAXZXBBM-LRTSRMLQSA-N +HMDB0049254 852.720690811 TG(18:1(11Z)/16:1(9Z)/18:3(9Z,12Z,15Z)) C55H96O6 XLTVJSFXOMIXKW-AWMWDXGLSA-N +HMDB0049261 884.78329106 TG(18:1(11Z)/18:1(11Z)/18:1(11Z)) C57H104O6 JSSROPRCXOAGCW-BUTYCLJRSA-N +HMDB0049262 884.783291069 TG(18:1(11Z)/18:1(11Z)/18:1(9Z)) C57H104O6 MIZFXTLHUPLNGP-OGZJHMPXSA-N +HMDB0049263 912.814591198 TG(18:1(11Z)/18:1(11Z)/20:1(11Z)) C59H108O6 DVVVWSWPMOHCJM-JGQQAENPSA-N +HMDB0049265 940.845891326 TG(18:1(11Z)/18:1(11Z)/22:1(13Z)) C61H112O6 PBUZOPDSPGPOQS-GQUABPRLSA-N +HMDB0049266 968.877191455 TG(18:1(11Z)/18:1(11Z)/24:1(15Z)) C63H116O6 CPMVPDLVOWSSKE-WGLLDAOBSA-N +HMDB0049267 882.767641004 TG(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)) C57H102O6 WYYFGQDJMAHICF-UHUUDVPASA-N +HMDB0049268 880.75199094 TG(18:1(11Z)/18:1(11Z)/18:3(6Z,9Z,12Z)) C57H100O6 FZUGYVDDNAJZLF-MVORAUPMSA-N +HMDB0049272 938.830241262 TG(18:1(11Z)/18:1(11Z)/22:2(13Z,16Z)) C61H110O6 CESSZFUPJUMNNU-LENAZKICSA-N +HMDB0049275 880.75199094 TG(18:1(11Z)/18:1(11Z)/18:3(9Z,12Z,15Z)) C57H100O6 MWIGZNCBUJFLIL-DRSHPDLOSA-N +HMDB0049281 872.819676578 TG(18:1(11Z)/18:1(11Z)/o-18:0) C57H108O5 CLCQSBVFBLSNEE-HMVBVNKWSA-N +HMDB0049282 884.78329106 TG(18:1(11Z)/18:1(9Z)/18:1(11Z)) C57H104O6 DTTIGIZBXFQWNL-HWEFBQTHSA-N +HMDB0049283 884.783291069 TG(18:1(11Z)/18:1(9Z)/18:1(9Z)) C57H104O6 JOURDTSYZKYHFB-VPQNIYBTSA-N +HMDB0049284 912.814591198 TG(18:1(11Z)/18:1(9Z)/20:1(11Z)) C59H108O6 IKJIWAALGJUTLA-HJLQGWHBSA-N +HMDB0049286 940.845891326 TG(18:1(11Z)/18:1(9Z)/22:1(13Z)) C61H112O6 QDMDGODCZNNQBV-VMPXLESRSA-N +HMDB0049287 968.877191455 TG(18:1(11Z)/18:1(9Z)/24:1(15Z)) C63H116O6 CFASHVJHKJIKRY-RTBJBVGVSA-N +HMDB0049288 882.767641004 TG(18:1(11Z)/18:1(9Z)/18:2(9Z,12Z)) C57H102O6 RKPVLJWMLADBIO-GFLVZEJQSA-N +HMDB0049289 880.75199094 TG(18:1(11Z)/18:1(9Z)/18:3(6Z,9Z,12Z)) C57H100O6 APBGQGAQJLLFMC-TYRAJOABSA-N +HMDB0049293 938.830241262 TG(18:1(11Z)/18:1(9Z)/22:2(13Z,16Z)) C61H110O6 PQNHEABAEPMJMD-OKIOPPKUSA-N +HMDB0049296 880.75199094 TG(18:1(11Z)/18:1(9Z)/18:3(9Z,12Z,15Z)) C57H100O6 YWOLEUFHHASIAX-SQLBINDESA-N +HMDB0049302 872.819676578 TG(18:1(11Z)/18:1(9Z)/o-18:0) C57H108O5 MUVVSXKCOYPIJY-BAYWWFOLSA-N +HMDB0049305 940.845891326 TG(18:1(11Z)/20:1(11Z)/20:1(11Z)) C61H112O6 FTPZUXAMLKYSRC-HDSWPUJOSA-N +HMDB0049307 968.877191455 TG(18:1(11Z)/20:1(11Z)/22:1(13Z)) C63H116O6 NMGROZCBZQQOSP-UBYAYVOWSA-N +HMDB0049311 938.830241262 TG(18:1(11Z)/20:1(11Z)/20:2n6) C61H110O6 BZHLYVKHDLPQFD-VDDAXEPZSA-N +HMDB0049314 966.861541391 TG(18:1(11Z)/20:1(11Z)/22:2(13Z,16Z)) C63H114O6 FWPCKKOAEAIPKJ-RLLXGZCISA-N +HMDB0049315 962.830241262 TG(18:1(11Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C63H110O6 MNFJIZPZFDFSHT-IZQQJYTASA-N +HMDB0049322 958.798941133 TG(18:1(11Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H106O6 GSHKNZZOMWCMJO-NAIBVRFTSA-N +HMDB0049323 900.850976706 TG(18:1(11Z)/20:1(11Z)/o-18:0) C59H112O5 LMFJKPBELSZHCE-BMOJGYJNSA-N +HMDB0049328 964.845891326 TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:1(13Z)) C63H112O6 NZLWAKCEBADZQI-LGFMCLGJSA-N +HMDB0049335 962.830241262 TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z)) C63H110O6 WODOUFGUYBJSCG-HFMIBNQHSA-N +HMDB0049336 958.798941133 TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)) C63H106O6 VHPUITUUEXRCGU-QKFSVKKZSA-N +HMDB0049337 956.783291069 TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H104O6 JQVMDWCSJIMBFA-WQDRWNKCSA-N +HMDB0049342 956.783291069 TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 IGHPWMZALJOYAV-JFJJIJHHSA-N +HMDB0049343 954.767641004 TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 CRAIJEBCCMKULT-HPZSSEKQSA-N +HMDB0049345 940.845891316 TG(18:1(11Z)/22:1(13Z)/18:1(11Z)) C61H112O6 RSYHUYFRXBMMEW-ANKPWZAQSA-N +HMDB0049346 940.845891326 TG(18:1(11Z)/22:1(13Z)/18:1(9Z)) C61H112O6 GXHRHWLAWLLOCF-VMPXLESRSA-N +HMDB0049347 968.877191455 TG(18:1(11Z)/22:1(13Z)/20:1(11Z)) C63H116O6 NMJIAWZBGZFPMZ-UBYAYVOWSA-N +HMDB0049348 964.845891326 TG(18:1(11Z)/22:1(13Z)/20:3(5Z,8Z,11Z)) C63H112O6 BUVNBWSDDBJEIH-VCDULOKCSA-N +HMDB0049351 938.830241262 TG(18:1(11Z)/22:1(13Z)/18:2(9Z,12Z)) C61H110O6 XQLSSUQHKWUYMC-YZDRKDPZSA-N +HMDB0049353 966.861541391 TG(18:1(11Z)/22:1(13Z)/20:2n6) C63H114O6 DFPNCBSXNOPJHY-UAGWNSTESA-N +HMDB0049354 964.845891326 TG(18:1(11Z)/22:1(13Z)/20:3n6) C63H112O6 MXNYWQGAKRABHA-KWEWDBRHSA-N +HMDB0049355 962.830241262 TG(18:1(11Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z)) C63H110O6 IBRKGGWUQIZSKI-PWRWVGHHSA-N +HMDB0049361 962.830241262 TG(18:1(11Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z)) C63H110O6 DDZGDBPXBWPREM-OZLYPPMKSA-N +HMDB0049365 928.882276835 TG(18:1(11Z)/22:1(13Z)/o-18:0) C61H116O5 ZNRJZRRGRJDRMD-QNSGHZAOSA-N +HMDB0049366 968.877191444 TG(18:1(11Z)/24:1(15Z)/18:1(11Z)) C63H116O6 JHWDCGVOVZRWAF-ANKPWZAQSA-N +HMDB0049367 968.877191455 TG(18:1(11Z)/24:1(15Z)/18:1(9Z)) C63H116O6 NNCFNVDCMOKBFC-RTBJBVGVSA-N +HMDB0049372 966.861541391 TG(18:1(11Z)/24:1(15Z)/18:2(9Z,12Z)) C63H114O6 CFGOOLOMBIOEGG-DPJMPHFLSA-N +HMDB0049373 964.845891326 TG(18:1(11Z)/24:1(15Z)/18:3(6Z,9Z,12Z)) C63H112O6 NVTGKNBTUCFOOC-PUXYSJNBSA-N +HMDB0049380 964.845891326 TG(18:1(11Z)/24:1(15Z)/18:3(9Z,12Z,15Z)) C63H112O6 RERKVVZYIAVMKL-JVPAGSFPSA-N +HMDB0049381 962.830241262 TG(18:1(11Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z)) C63H110O6 OGZYWHBWXAJJRP-YHDAGPPLSA-N +HMDB0049386 956.913576964 TG(18:1(11Z)/24:1(15Z)/o-18:0) C63H120O5 PMFLTJZDQUHUAB-CNKHIDIQSA-N +HMDB0049387 882.767641004 TG(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z)) C57H102O6 WQAWIGRUXVAAIX-KGDSFANMSA-N +HMDB0049388 882.767641004 TG(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z)) C57H102O6 UKJDYVVYSNHIJH-DHRQPHFCSA-N +HMDB0049389 910.798941133 TG(18:1(11Z)/18:2(9Z,12Z)/20:1(11Z)) C59H106O6 GLMVCLWSBJJWTR-FZTGDDQJSA-N +HMDB0049391 938.830241262 TG(18:1(11Z)/18:2(9Z,12Z)/22:1(13Z)) C61H110O6 ODZGUPAQUQGEKA-MJECLYFESA-N +HMDB0049392 966.861541391 TG(18:1(11Z)/18:2(9Z,12Z)/24:1(15Z)) C63H114O6 RVZCIRATOLVRIA-MTSJKGKGSA-N +HMDB0049393 880.75199094 TG(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C57H100O6 WOPXUTZTLHAOFJ-QHANJALHSA-N +HMDB0049407 870.804026513 TG(18:1(11Z)/18:2(9Z,12Z)/o-18:0) C57H106O5 WUWDYQPFUONYLK-YNAMKCPRSA-N +HMDB0049408 880.751990932 TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:1(11Z)) C57H100O6 UMPQTCRVUAVQQI-PULYFOIOSA-N +HMDB0049409 880.75199094 TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:1(9Z)) C57H100O6 VHJVYLPSJSQQCX-KALFCKLISA-N +HMDB0049413 964.845891326 TG(18:1(11Z)/18:3(6Z,9Z,12Z)/24:1(15Z)) C63H112O6 CIQHDYHPBGLGRY-OWUYJZTJSA-N +HMDB0049425 900.720690811 TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C59H96O6 DTSVNYMUJNAOOU-CPUTZPKCSA-N +HMDB0049428 868.788376449 TG(18:1(11Z)/18:3(6Z,9Z,12Z)/o-18:0) C57H104O5 JSUSEOMHUNJYLL-UQQXENLJSA-N +HMDB0049431 938.830241262 TG(18:1(11Z)/20:2n6/20:1(11Z)) C61H110O6 CWWUWOFQAROKCL-UQYZWSIXSA-N +HMDB0049433 966.861541391 TG(18:1(11Z)/20:2n6/22:1(13Z)) C63H114O6 AJOYUENGEJHXFT-UAGWNSTESA-N +HMDB0049440 964.845891326 TG(18:1(11Z)/20:2n6/22:2(13Z,16Z)) C63H112O6 UQXVRDHAZYQOSA-DOYZNESKSA-N +HMDB0049442 958.798941133 TG(18:1(11Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)) C63H106O6 XHZZGLXWFJMTMZ-ZJWVVZHGSA-N +HMDB0049447 958.798941133 TG(18:1(11Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)) C63H106O6 PFAOTZPCSYQOED-UNEUZNPLSA-N +HMDB0049448 956.783291069 TG(18:1(11Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H104O6 OQVOEILLAWEJJU-WBBOMUOZSA-N +HMDB0049454 964.845891326 TG(18:1(11Z)/20:3n6/22:1(13Z)) C63H112O6 JDJRCOJFDNTSGV-YSJNCNSWSA-N +HMDB0049461 962.830241262 TG(18:1(11Z)/20:3n6/22:2(13Z,16Z)) C63H110O6 WMGBXZPFBDGEGE-RYBKQSRMSA-N +HMDB0049462 958.798941133 TG(18:1(11Z)/20:3n6/22:4(7Z,10Z,13Z,16Z)) C63H106O6 FERRYQPGBTWCLI-CIAXCLBGSA-N +HMDB0049463 956.783291069 TG(18:1(11Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)) C63H104O6 QREKKIRJSWBZTL-UGXPLPJOSA-N +HMDB0049468 956.783291069 TG(18:1(11Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 NYIPWEDEDCENLJ-PMZJQWIUSA-N +HMDB0049469 954.767641004 TG(18:1(11Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 FDBPCQBWBNZEDW-BQPYFUBOSA-N +HMDB0049475 962.830241262 TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z)) C63H110O6 XBGZGJVIPABSJH-WKCUXUPPSA-N +HMDB0049483 956.783291069 TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) C63H104O6 RXMYNXNZICUHSI-WTXFIHGPSA-N +HMDB0049484 954.767641004 TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H102O6 AJRSKYARNMVHFT-FPQJVPRTSA-N +HMDB0049486 900.720690811 TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) C59H96O6 BNFYPGSVPNZPRA-GNTVYFFGSA-N +HMDB0049489 954.767641004 TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 XPRIEXJXLXJFEI-GPDKHWIOSA-N +HMDB0049490 952.75199094 TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 HSALVDSITWQZNS-FENZPOJDSA-N +HMDB0049492 938.830241252 TG(18:1(11Z)/22:2(13Z,16Z)/18:1(11Z)) C61H110O6 FZKWULPGSLRZTH-UYTRXKGHSA-N +HMDB0049493 938.830241262 TG(18:1(11Z)/22:2(13Z,16Z)/18:1(9Z)) C61H110O6 AAYJVNROXHMWJF-OKIOPPKUSA-N +HMDB0049494 966.861541391 TG(18:1(11Z)/22:2(13Z,16Z)/20:1(11Z)) C63H114O6 GDWVKMUJAYQRMH-RLLXGZCISA-N +HMDB0049495 962.830241262 TG(18:1(11Z)/22:2(13Z,16Z)/20:3(5Z,8Z,11Z)) C63H110O6 FSUMMHYNEFRCKJ-RJATWLLBSA-N +HMDB0049500 964.845891326 TG(18:1(11Z)/22:2(13Z,16Z)/20:2n6) C63H112O6 OYFSLUROHDMBJJ-DOYZNESKSA-N +HMDB0049501 962.830241262 TG(18:1(11Z)/22:2(13Z,16Z)/20:3n6) C63H110O6 SRARWQZTRDRWIY-RLPWNCGFSA-N +HMDB0049509 958.798941133 TG(18:1(11Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 LQORAQJGEORWLS-MCWFOEECSA-N +HMDB0049512 926.866626771 TG(18:1(11Z)/22:2(13Z,16Z)/o-18:0) C61H114O5 JLHHWPUYZJHBEJ-BHNDFJEDSA-N +HMDB0049515 962.830241262 TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:1(11Z)) C63H110O6 SYOMGTNMWHLBFV-NFUXPRKBSA-N +HMDB0049516 958.798941133 TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)) C63H106O6 UDICYIUJKLODAB-HBCWWQHQSA-N +HMDB0049522 958.798941133 TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6) C63H106O6 IAFMACZCBGOYAR-SKZBEDAZSA-N +HMDB0049523 956.783291069 TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C63H104O6 IIUYJEVBYIQITA-NNUSJQSTSA-N +HMDB0049529 956.783291069 TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C63H104O6 UWOXYLRRGFBQMC-GBPORJMJSA-N +HMDB0049530 954.767641004 TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 SBRTXDNWWVUJGY-GQYGFRRTSA-N +HMDB0049532 980.783291069 TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 ZDZGRFOKLODFJJ-DTKSAECMSA-N +HMDB0049537 956.783291069 TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)) C63H104O6 BJLRZHNJFQMOIR-NMCZSGHLSA-N +HMDB0049542 958.798941133 TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6) C63H106O6 PFCDUEXIIFGNON-NMYFRQMXSA-N +HMDB0049543 956.783291069 TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6) C63H104O6 FHRLUJKJKYLPIE-QPYSUSQJSA-N +HMDB0049544 954.767641004 TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C63H102O6 SPZFKKCPMIILSL-ZDCKVPJRSA-N +HMDB0049547 980.783291069 TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H104O6 CPPRQORZWKTODT-LFQKTXPPSA-N +HMDB0049550 954.767641004 TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C63H102O6 GHZFGSBSLITSMO-NAGUGYBUSA-N +HMDB0049551 952.75199094 TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 SAHJXIOVXNXTQL-UXKOHQIASA-N +HMDB0049552 980.783291069 TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 CRTLUTSDOWTFCK-QKDNGUHJSA-N +HMDB0049553 978.767641004 TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 WMBVQZLMMZWHJG-CYMLIKQLSA-N +HMDB0049555 880.751990932 TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:1(11Z)) C57H100O6 YZOSLKYDCFWPCI-XWAWYEIZSA-N +HMDB0049556 880.75199094 TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:1(9Z)) C57H100O6 MRBGPFJGICLPKZ-HTUOTVJLSA-N +HMDB0049560 964.845891326 TG(18:1(11Z)/18:3(9Z,12Z,15Z)/24:1(15Z)) C63H112O6 YAVAVSMMSRUIQM-VJPYWOHBSA-N +HMDB0049572 900.720690811 TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C59H96O6 SJPXPPDFLZCAGK-DZTURHCRSA-N +HMDB0049575 868.788376449 TG(18:1(11Z)/18:3(9Z,12Z,15Z)/o-18:0) C57H104O5 RZDWVTRPHNHEBJ-PCSQJDSHSA-N +HMDB0049581 962.830241262 TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z)) C63H110O6 HLZUZYCNWDXIET-GRTVCVDRSA-N +HMDB0049586 900.720690811 TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) C59H96O6 XLBDBVTYZICFPC-RBQORJPZSA-N +HMDB0049592 900.720690811 TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) C59H96O6 SCJRWDPPOJUNPY-OMAOCIIASA-N +HMDB0049595 924.720690811 TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H96O6 NMBWREWNBSVWGK-KRWGDDCXSA-N +HMDB0049596 866.772726384 TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0) C57H102O5 VFDSPTRIQXDNNU-UOHWBMRBSA-N +HMDB0049601 962.830241262 TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:1(13Z)) C63H110O6 LZQXDMQLLSQLDI-UWADXPHTSA-N +HMDB0049609 956.783291069 TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C63H104O6 TWDVZQIJTRNOQN-YIHJFQOPSA-N +HMDB0049610 954.767641004 TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H102O6 NWTURLYIJSOABO-TZMPUXRDSA-N +HMDB0049612 900.720690811 TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) C59H96O6 HWIYVWGYVREDBV-IQNNOPNZSA-N +HMDB0049615 954.767641004 TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 DRHZXOAXOIEMMY-YFBLPMCWSA-N +HMDB0049616 952.75199094 TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 GLVZNJVSGWGEOW-XLAJVQPUSA-N +HMDB0049625 900.720690811 TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)) C59H96O6 NWWIMNVSUNRCOZ-VQSVBKIVSA-N +HMDB0049629 958.798941133 TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)) C63H106O6 TUXUSRKEZCBDLD-RGWBQLMMSA-N +HMDB0049630 954.767641004 TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C63H102O6 KQHIUWHKRXQFTK-VMGYSLFXSA-N +HMDB0049631 952.75199094 TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H100O6 GJZAKWNUCSDFIU-VTAQKUKXSA-N +HMDB0049632 900.720690811 TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) C59H96O6 ZQYFPDFYJXJUJL-LYZDWMDLSA-N +HMDB0049635 924.720690811 TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C61H96O6 BHNZVYBODMKEQT-SSUPLLPUSA-N +HMDB0049636 952.75199094 TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H100O6 NAGOEYAYRYTHKH-JGWPCJPLSA-N +HMDB0049642 956.783291069 TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)) C63H104O6 GYCKKRXENHOTFF-GKTAFWSMSA-N +HMDB0049647 958.798941133 TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6) C63H106O6 ICXGNYXLZAKZKP-FFEAFRBDSA-N +HMDB0049648 956.783291069 TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6) C63H104O6 RDYPQHGKLGNVNR-ZXYKEFTISA-N +HMDB0049649 954.767641004 TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C63H102O6 GLIIMTFLXXHIBR-ZDVGPOOSSA-N +HMDB0049652 980.783291069 TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H104O6 XKLODESLCLIXEV-PSXUGWDYSA-N +HMDB0049655 954.767641004 TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C63H102O6 GMVLULHDBJHRNL-RKINMUMBSA-N +HMDB0049656 952.75199094 TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 FQYWDFDUCXHAEX-PNOINLTMSA-N +HMDB0049657 980.783291069 TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 LRBIDJYFWXUQGA-ZSFFAGERSA-N +HMDB0049658 978.767641004 TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 LVFGCKMHIYKCGK-KPJQOHOXSA-N +HMDB0049662 958.798941133 TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) C63H106O6 INWPHLCORRPJIM-KJAIXDQISA-N +HMDB0049663 954.767641004 TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)) C63H102O6 HVOSMRAPGYBTSZ-QNLGPDMTSA-N +HMDB0049668 956.783291069 TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6) C63H104O6 HIGNKIDTFFNZDL-FSYKTYDQSA-N +HMDB0049669 954.767641004 TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6) C63H102O6 ZTDMXZQXQOEXKZ-OPEXVSHCSA-N +HMDB0049670 952.75199094 TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C63H100O6 HXQABWBASCQTOJ-FBDKKEFZSA-N +HMDB0049672 980.783291069 TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C65H104O6 AKWRLSBPYGLHDM-ZWWWWMGCSA-N +HMDB0049673 978.767641004 TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H102O6 TYDXDNLOHMRFIS-AJIDGHILSA-N +HMDB0049675 924.720690811 TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C61H96O6 QQEYPDQDALZZPI-RVWGHYTBSA-N +HMDB0049676 952.75199094 TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C63H100O6 JHSXEMRTWBYZRI-YBIWHIJFSA-N +HMDB0049678 978.767641004 TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H102O6 PONZKPRWQCDCFJ-ALURWCTDSA-N +HMDB0049679 976.75199094 TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H100O6 LIWGBSUBZQSLON-GBJKKVSNSA-N +HMDB0049683 900.850976706 TG(18:1(11Z)/o-18:0/20:1(11Z)) C59H112O5 OUUHBPIFIILUCA-JPPPTBPHSA-N +HMDB0049685 928.882276835 TG(18:1(11Z)/o-18:0/22:1(13Z)) C61H116O5 AVOGJLBZQNPISG-JHTVFDPBSA-N +HMDB0049686 956.913576964 TG(18:1(11Z)/o-18:0/24:1(15Z)) C63H120O5 LISACBAHGCRQCQ-KKYDTTANSA-N +HMDB0049687 870.804026513 TG(18:1(11Z)/o-18:0/18:2(9Z,12Z)) C57H106O5 PEJYXBAMEZPBAX-QIJLKOGJSA-N +HMDB0049688 868.788376449 TG(18:1(11Z)/o-18:0/18:3(6Z,9Z,12Z)) C57H104O5 OVZDGNXRQHXYRU-DKHQVFKZSA-N +HMDB0049692 926.866626771 TG(18:1(11Z)/o-18:0/22:2(13Z,16Z)) C61H114O5 FJIWLFYCFVEOMI-ABMSFDGSSA-N +HMDB0049695 868.788376449 TG(18:1(11Z)/o-18:0/18:3(9Z,12Z,15Z)) C57H104O5 PCTKCCIZPRJCIQ-UXYCMECVSA-N +HMDB0049696 866.772726384 TG(18:1(11Z)/o-18:0/18:4(6Z,9Z,12Z,15Z)) C57H102O5 JLRXETBUGMIPJK-SSFJOSMMSA-N +HMDB0049705 914.830241262 TG(18:1(9Z)/14:0/24:1(15Z)) C59H110O6 IFMFNZAUKDXUBS-XEFQVAJMSA-N +HMDB0049708 856.75199094 TG(18:1(9Z)/14:0/20:2n6) C55H100O6 ADOAWMSGAVKGKY-LOUZIDRQSA-N +HMDB0049711 884.783291069 TG(18:1(9Z)/14:0/22:2(13Z,16Z)) C57H104O6 QTMSSVDGQFTUGW-AILSCRDTSA-N +HMDB0049712 880.75199094 TG(18:1(9Z)/14:0/22:4(7Z,10Z,13Z,16Z)) C57H100O6 SHWUEDFQQXTCJE-BVQXJMJWSA-N +HMDB0049716 852.720690811 TG(18:1(9Z)/14:0/20:4(8Z,11Z,14Z,17Z)) C55H96O6 MGEAAPQRAKZVAR-DBTYPVFMSA-N +HMDB0049726 842.736340876 TG(18:1(9Z)/15:0/18:2(9Z,12Z)) C54H98O6 WZQHACRHKQJTGS-GBFVOJRPSA-N +HMDB0049731 898.798941133 TG(18:1(9Z)/15:0/22:2(13Z,16Z)) C58H106O6 AGEPNYPMOSCATG-WEYDMKCFSA-N +HMDB0049743 882.767641004 TG(18:1(9Z)/16:0/20:3(5Z,8Z,11Z)) C57H102O6 QEQZJVMDJZDGPY-FJBXZDKUSA-N +HMDB0049744 914.830241262 TG(18:1(9Z)/16:0/22:1(13Z)) C59H110O6 FNKCAFMYNGUZAU-ZFWLCYAFSA-N +HMDB0049745 942.861541391 TG(18:1(9Z)/16:0/24:1(15Z)) C61H114O6 ABSZNRZAXPIPNQ-YHAQPZLLSA-N +HMDB0049746 856.75199094 TG(18:1(9Z)/16:0/18:2(9Z,12Z)) C55H100O6 FSTOZAMDIJDRCH-RISKEULASA-N +HMDB0049748 884.783291069 TG(18:1(9Z)/16:0/20:2n6) C57H104O6 TYPSCZYHWXUNQD-HLYOSYIHSA-N +HMDB0049749 882.767641004 TG(18:1(9Z)/16:0/20:3n6) C57H102O6 XWUIEUCNKIBJAB-SSKDQPTCSA-N +HMDB0049750 880.75199094 TG(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)) C57H100O6 WICODSUDRZUJKB-FFBDFEMSSA-N +HMDB0049755 852.720690811 TG(18:1(9Z)/16:0/18:4(6Z,9Z,12Z,15Z)) C55H96O6 MXFKCAQPYLTUMC-DUGBKBSISA-N +HMDB0049756 880.75199094 TG(18:1(9Z)/16:0/20:4(8Z,11Z,14Z,17Z)) C57H100O6 ZMONUYUAVAZYFU-MPZPZLFDSA-N +HMDB0049762 914.830241262 TG(18:1(9Z)/18:0/20:1(11Z)) C59H110O6 ZKCCURQELYISMZ-ZYDPFBNWSA-N +HMDB0049764 942.861541391 TG(18:1(9Z)/18:0/22:1(13Z)) C61H114O6 QFGOYGNOTBVZDL-FNHBVCHXSA-N +HMDB0049765 970.89284152 TG(18:1(9Z)/18:0/24:1(15Z)) C63H118O6 BGOSCAYGIGBWAZ-PXTDELHOSA-N +HMDB0049766 884.783291069 TG(18:1(9Z)/18:0/18:2(9Z,12Z)) C57H104O6 OCXMVEFWZCJXTP-FLTCGBKESA-N +HMDB0049767 882.767641004 TG(18:1(9Z)/18:0/18:3(6Z,9Z,12Z)) C57H102O6 UZBLVYUHSFGJIV-OJASTPSBSA-N +HMDB0049771 940.845891326 TG(18:1(9Z)/18:0/22:2(13Z,16Z)) C61H112O6 IFPSXJPVXFGDJF-DUKYPQHXSA-N +HMDB0049775 880.75199094 TG(18:1(9Z)/18:0/18:4(6Z,9Z,12Z,15Z)) C57H100O6 XWWHTVUODKLIIT-GZJUGHSNSA-N +HMDB0049780 874.835326642 TG(18:1(9Z)/18:0/o-18:0) C57H110O5 PUKJHNUKDAALMG-OVDKEJHLSA-N +HMDB0049781 914.830241252 TG(18:1(9Z)/20:0/18:1(9Z)) C59H110O6 LDVWBXGIAOXJKP-VUGPWPOLSA-N +HMDB0049783 938.830241262 TG(18:1(9Z)/20:0/20:3(5Z,8Z,11Z)) C61H110O6 KLPBKIYPIXLUIY-XNXOMPFUSA-N +HMDB0049784 970.89284152 TG(18:1(9Z)/20:0/22:1(13Z)) C63H118O6 WZWIOTYITIUOCJ-IZQICMPYSA-N +HMDB0049788 940.845891326 TG(18:1(9Z)/20:0/20:2n6) C61H112O6 WAZXBESWUFNIKC-XIRNAJJQSA-N +HMDB0049789 938.830241262 TG(18:1(9Z)/20:0/20:3n6) C61H110O6 PTJRQGPURCBISX-WXXIOODTSA-N +HMDB0049791 968.877191455 TG(18:1(9Z)/20:0/22:2(13Z,16Z)) C63H116O6 YNHHZPAROZOHCY-VQWJJQQVSA-N +HMDB0049792 964.845891326 TG(18:1(9Z)/20:0/22:4(7Z,10Z,13Z,16Z)) C63H112O6 BHETTXDAZXCFKF-FKMGPEFTSA-N +HMDB0049793 962.830241262 TG(18:1(9Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H110O6 FIEHEEYBLZIFLG-GRHYHTISSA-N +HMDB0049798 962.830241262 TG(18:1(9Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H110O6 BOHGMMGUVPUWFF-WEMJJBFYSA-N +HMDB0049800 902.866626771 TG(18:1(9Z)/20:0/o-18:0) C59H114O5 GOMDFFGKASVPBQ-LKKPSHJRSA-N +HMDB0049801 942.86154138 TG(18:1(9Z)/22:0/18:1(9Z)) C61H114O6 GQNCOCJLEFUUME-VBZQPFBYSA-N +HMDB0049802 970.89284152 TG(18:1(9Z)/22:0/20:1(11Z)) C63H118O6 DWPNGNRTDXKEOG-QSCXPPFOSA-N +HMDB0049803 966.861541391 TG(18:1(9Z)/22:0/20:3(5Z,8Z,11Z)) C63H114O6 AOUHOSSCVUKSAD-ALEQAAMJSA-N +HMDB0049806 940.845891326 TG(18:1(9Z)/22:0/18:2(9Z,12Z)) C61H112O6 IHFWXPSVLCAYTA-NSOUBCFQSA-N +HMDB0049807 938.830241262 TG(18:1(9Z)/22:0/18:3(6Z,9Z,12Z)) C61H110O6 UCHSMZOZHHHKTN-XAHZAFGXSA-N +HMDB0049808 968.877191455 TG(18:1(9Z)/22:0/20:2n6) C63H116O6 KGLCIQWPEJNTLF-MPTAIMNVSA-N +HMDB0049809 966.861541391 TG(18:1(9Z)/22:0/20:3n6) C63H114O6 PFBXBGIBHLCMFX-OCGDWDBGSA-N +HMDB0049810 964.845891326 TG(18:1(9Z)/22:0/20:4(5Z,8Z,11Z,14Z)) C63H112O6 LMGNSHHFYGGMOJ-OTNUYYLHSA-N +HMDB0049814 938.830241262 TG(18:1(9Z)/22:0/18:3(9Z,12Z,15Z)) C61H110O6 MSUBTQPZOUPMQD-NVQONJOPSA-N +HMDB0049816 964.845891326 TG(18:1(9Z)/22:0/20:4(8Z,11Z,14Z,17Z)) C63H112O6 QZXIVAFCGWISDS-BKMKIOPFSA-N +HMDB0049817 962.830241262 TG(18:1(9Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H110O6 HAVPVXRAONEJBL-FUDXXLQYSA-N +HMDB0049821 970.892841508 TG(18:1(9Z)/24:0/18:1(9Z)) C63H118O6 OAJSPZUBFWYCCY-NNBGLWHGSA-N +HMDB0049826 968.877191455 TG(18:1(9Z)/24:0/18:2(9Z,12Z)) C63H116O6 ZRZVISWZVARYCM-QZWBWMDUSA-N +HMDB0049827 966.861541391 TG(18:1(9Z)/24:0/18:3(6Z,9Z,12Z)) C63H114O6 XMFRBOAHYIOZTK-SDNRSMOOSA-N +HMDB0049834 966.861541391 TG(18:1(9Z)/24:0/18:3(9Z,12Z,15Z)) C63H114O6 SEGAFXOOJWNDFX-NKNKUKIVSA-N +HMDB0049835 964.845891326 TG(18:1(9Z)/24:0/18:4(6Z,9Z,12Z,15Z)) C63H112O6 ZZTHPXVKEQEQDW-GLXVKYISSA-N +HMDB0049840 958.929227028 TG(18:1(9Z)/24:0/o-18:0) C63H122O5 KADMYKMUQFNYTD-KPUVNLRISA-N +HMDB0049842 856.75199094 TG(18:1(9Z)/14:1(9Z)/20:1(11Z)) C55H100O6 QBTDCDJQWFFVGF-GAAGLFOXSA-N +HMDB0049843 852.720690811 TG(18:1(9Z)/14:1(9Z)/20:3(5Z,8Z,11Z)) C55H96O6 SXSRTUPMLATBNN-WIKKIFFMSA-N +HMDB0049844 884.783291069 TG(18:1(9Z)/14:1(9Z)/22:1(13Z)) C57H104O6 PREDIUAQXWFUMA-JEQUJCETSA-N +HMDB0049849 852.720690811 TG(18:1(9Z)/14:1(9Z)/20:3n6) C55H96O6 NRVWPUNQTJDNID-BWMZTZCRSA-N +HMDB0049851 882.767641004 TG(18:1(9Z)/14:1(9Z)/22:2(13Z,16Z)) C57H102O6 YVYVTNJRAGMXOD-CPRBWVNASA-N +HMDB0049861 856.751990932 TG(18:1(9Z)/16:1(9Z)/18:1(9Z)) C55H100O6 VCABCCITBXMTKG-CABVQDRLSA-N +HMDB0049862 884.783291069 TG(18:1(9Z)/16:1(9Z)/20:1(11Z)) C57H104O6 PFIMEBGCGUJFNB-XYSPBAOWSA-N +HMDB0049863 880.75199094 TG(18:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z)) C57H100O6 SRKCJTCWCCPZMA-ZNLZJBMVSA-N +HMDB0049865 940.845891326 TG(18:1(9Z)/16:1(9Z)/24:1(15Z)) C61H112O6 YEJRDTNJGBHPRE-LTOBCQMGSA-N +HMDB0049867 852.720690811 TG(18:1(9Z)/16:1(9Z)/18:3(6Z,9Z,12Z)) C55H96O6 XFZASIKJCCDVQE-ZBFKJNBGSA-N +HMDB0049868 882.767641004 TG(18:1(9Z)/16:1(9Z)/20:2n6) C57H102O6 MVWHBFFHLYXZJQ-UDEYGTCASA-N +HMDB0049869 880.75199094 TG(18:1(9Z)/16:1(9Z)/20:3n6) C57H100O6 CPINNDOHYCSUGR-DVKFFMGFSA-N +HMDB0049874 852.720690811 TG(18:1(9Z)/16:1(9Z)/18:3(9Z,12Z,15Z)) C55H96O6 ZEKFRROIYZYMJB-YUXMUTLDSA-N +HMDB0049882 912.814591198 TG(18:1(9Z)/18:1(11Z)/20:1(11Z)) C59H108O6 VEOVLFBKKMGGBT-PNSIWLCJSA-N +HMDB0049884 940.845891326 TG(18:1(9Z)/18:1(11Z)/22:1(13Z)) C61H112O6 PDJWMOMYSOZUKA-QLKRBTNSSA-N +HMDB0049885 968.877191455 TG(18:1(9Z)/18:1(11Z)/24:1(15Z)) C63H116O6 DJUZUKMVZZOHPA-YPSFEINCSA-N +HMDB0049887 880.75199094 TG(18:1(9Z)/18:1(11Z)/18:3(6Z,9Z,12Z)) C57H100O6 MSQGSTKKOSEGDB-FGYPPILCSA-N +HMDB0049891 938.830241262 TG(18:1(9Z)/18:1(11Z)/22:2(13Z,16Z)) C61H110O6 VJJRELRGCGHSSN-WUNIUEMGSA-N +HMDB0049894 880.75199094 TG(18:1(9Z)/18:1(11Z)/18:3(9Z,12Z,15Z)) C57H100O6 LBRUZFUQXUCAIU-GJPVFJSGSA-N +HMDB0049900 872.819676578 TG(18:1(9Z)/18:1(11Z)/o-18:0) C57H108O5 HOBVFWBPKZZJDS-CMEJSUTGSA-N +HMDB0049905 968.877191455 TG(18:1(9Z)/18:1(9Z)/24:1(15Z)) C63H116O6 PHZQINHSUNAFFE-YSOQIWIBSA-N +HMDB0049911 938.830241262 TG(18:1(9Z)/18:1(9Z)/22:2(13Z,16Z)) C61H110O6 MLHXDLRLDMFNPU-VPSBVNDRSA-N +HMDB0049920 872.819676578 TG(18:1(9Z)/18:1(9Z)/o-18:0) C57H108O5 OJWXCNKRIMWLSH-PAMRDINXSA-N +HMDB0049924 968.877191455 TG(18:1(9Z)/20:1(11Z)/22:1(13Z)) C63H116O6 AOIVCCSFBIWNFL-MEYRNFQCSA-N +HMDB0049928 938.830241262 TG(18:1(9Z)/20:1(11Z)/20:2n6) C61H110O6 ULBTVPHSXKRJBN-MWJFSITCSA-N +HMDB0049931 966.861541391 TG(18:1(9Z)/20:1(11Z)/22:2(13Z,16Z)) C63H114O6 NTSBPGZUJBXBSL-LNSYPENWSA-N +HMDB0049932 962.830241262 TG(18:1(9Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C63H110O6 AKPFCWNOANKGPU-VBCVAJELSA-N +HMDB0049939 958.798941133 TG(18:1(9Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H106O6 YNFNQTHMVAZPPY-DKSTYILTSA-N +HMDB0049940 900.850976706 TG(18:1(9Z)/20:1(11Z)/o-18:0) C59H112O5 MWZGBHBJOPROOU-LFAHWVCXSA-N +HMDB0049944 964.845891326 TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:1(13Z)) C63H112O6 AKQAUMVOMMKMTF-BZTMKZLJSA-N +HMDB0049951 962.830241262 TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z)) C63H110O6 XNFUACYEWNBQLH-MLXJOYFXSA-N +HMDB0049952 958.798941133 TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)) C63H106O6 RBFZLZMJOWEYIX-RFDSRFODSA-N +HMDB0049953 956.783291069 TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H104O6 VACJTARUJZHQTP-BYMLDMINSA-N +HMDB0049958 956.783291069 TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 YCULQDJFVHNAEQ-HFOOQYDRSA-N +HMDB0049959 954.767641004 TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 SDWMHLZEAPLCIQ-IVOGKTBOSA-N +HMDB0049961 940.845891316 TG(18:1(9Z)/22:1(13Z)/18:1(9Z)) C61H112O6 LQYKKZORBDYUKT-KDNOBURDSA-N +HMDB0049962 968.877191455 TG(18:1(9Z)/22:1(13Z)/20:1(11Z)) C63H116O6 OTXDGHXQYRYHDV-MEYRNFQCSA-N +HMDB0049963 964.845891326 TG(18:1(9Z)/22:1(13Z)/20:3(5Z,8Z,11Z)) C63H112O6 XODZXKPANKDXHP-FBVKJMAOSA-N +HMDB0049966 938.830241262 TG(18:1(9Z)/22:1(13Z)/18:2(9Z,12Z)) C61H110O6 COGBIGLYXFERSM-QKDFGVCKSA-N +HMDB0049968 966.861541391 TG(18:1(9Z)/22:1(13Z)/20:2n6) C63H114O6 OSQJHCZDNGROLT-UBCHDMNKSA-N +HMDB0049969 964.845891326 TG(18:1(9Z)/22:1(13Z)/20:3n6) C63H112O6 HWLVTNCWIOTLSO-SVXBYQQZSA-N +HMDB0049970 962.830241262 TG(18:1(9Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z)) C63H110O6 YXUAESIHENABSF-WUTBZMDUSA-N +HMDB0049976 962.830241262 TG(18:1(9Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z)) C63H110O6 RYSFVHSTLPOBIB-PZLXZMQBSA-N +HMDB0049980 928.882276835 TG(18:1(9Z)/22:1(13Z)/o-18:0) C61H116O5 HTSDPTZQCYEEKC-SGRYFNBKSA-N +HMDB0049981 968.877191444 TG(18:1(9Z)/24:1(15Z)/18:1(9Z)) C63H116O6 YGGZFQWCIRKMIF-VVVJLKBJSA-N +HMDB0049986 966.861541391 TG(18:1(9Z)/24:1(15Z)/18:2(9Z,12Z)) C63H114O6 MIQNEBSSVNEWHY-VUCGYDTISA-N +HMDB0049987 964.845891326 TG(18:1(9Z)/24:1(15Z)/18:3(6Z,9Z,12Z)) C63H112O6 QTXQZWXXJFNSGW-AIYLCWKHSA-N +HMDB0049994 964.845891326 TG(18:1(9Z)/24:1(15Z)/18:3(9Z,12Z,15Z)) C63H112O6 PVXKEKCIFSZOTE-ONVKFWOQSA-N +HMDB0049995 962.830241262 TG(18:1(9Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z)) C63H110O6 AQXPAPMULLSBQL-IASDWQFSSA-N +HMDB0050000 956.913576964 TG(18:1(9Z)/24:1(15Z)/o-18:0) C63H120O5 QIKLHWHYLOODPL-FFSMKODBSA-N +HMDB0050001 882.767641004 TG(18:1(9Z)/18:2(9Z,12Z)/18:1(9Z)) C57H102O6 UBFOEWXGSAZLKS-FVCHKXIASA-N +HMDB0050004 938.830241262 TG(18:1(9Z)/18:2(9Z,12Z)/22:1(13Z)) C61H110O6 ZIRJXTDTRZMNMW-ZXXNJQFSSA-N +HMDB0050005 966.861541391 TG(18:1(9Z)/18:2(9Z,12Z)/24:1(15Z)) C63H114O6 DSSFNWQQTMLKJD-FPVJMDJPSA-N +HMDB0050020 870.804026513 TG(18:1(9Z)/18:2(9Z,12Z)/o-18:0) C57H106O5 SNSCEPRATRYHSL-GBUKJYTBSA-N +HMDB0050021 880.751990932 TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:1(9Z)) C57H100O6 JMHHDSQNLZCCLT-YPDKBCJXSA-N +HMDB0050025 964.845891326 TG(18:1(9Z)/18:3(6Z,9Z,12Z)/24:1(15Z)) C63H112O6 ORQMNWAGMCHUBN-FKPJQCIFSA-N +HMDB0050037 900.720690811 TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C59H96O6 NIYFCMHVCRSLEF-DRQOZWTKSA-N +HMDB0050040 868.788376449 TG(18:1(9Z)/18:3(6Z,9Z,12Z)/o-18:0) C57H104O5 YFWNVIUVILVVDR-KJXLAAIMSA-N +HMDB0050042 938.830241262 TG(18:1(9Z)/20:2n6/20:1(11Z)) C61H110O6 BKWZVJWHAPNDHG-VNTYJXFZSA-N +HMDB0050044 966.861541391 TG(18:1(9Z)/20:2n6/22:1(13Z)) C63H114O6 CZCNBEOJWUHLJB-UBCHDMNKSA-N +HMDB0050051 964.845891326 TG(18:1(9Z)/20:2n6/22:2(13Z,16Z)) C63H112O6 PIZKEXJUEDRGCV-SFKXYMDKSA-N +HMDB0050053 958.798941133 TG(18:1(9Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)) C63H106O6 MJNRQPAXIWANBB-VRHRGAFOSA-N +HMDB0050058 958.798941133 TG(18:1(9Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)) C63H106O6 UNPHSNFHDIZVSI-WAOWULNYSA-N +HMDB0050059 956.783291069 TG(18:1(9Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H104O6 YUCHRXJXJUSLFQ-WSUSZCAPSA-N +HMDB0050064 964.845891326 TG(18:1(9Z)/20:3n6/22:1(13Z)) C63H112O6 NHNBHJTVRJQCPP-FKDZCWOGSA-N +HMDB0050071 962.830241262 TG(18:1(9Z)/20:3n6/22:2(13Z,16Z)) C63H110O6 HTNGQUGKMONWEF-GWSNNVHSSA-N +HMDB0050072 958.798941133 TG(18:1(9Z)/20:3n6/22:4(7Z,10Z,13Z,16Z)) C63H106O6 ATCRUZMUPRXROY-WUPZMFASSA-N +HMDB0050073 956.783291069 TG(18:1(9Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)) C63H104O6 NTCOYOBXIUTQIE-SOYBSQKLSA-N +HMDB0050078 956.783291069 TG(18:1(9Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 DRJWUSGKQPKDTB-YSOXUHDNSA-N +HMDB0050079 954.767641004 TG(18:1(9Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 PYMKNYQBVPYQSZ-HYVJQDIISA-N +HMDB0050084 962.830241262 TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z)) C63H110O6 SNIRWKWYRGYYKI-MTBLMZBXSA-N +HMDB0050092 956.783291069 TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) C63H104O6 YMGSOCWJHLMLQM-LVOQDINESA-N +HMDB0050093 954.767641004 TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H102O6 NIPUCULBSQNBSL-QMPZQZPPSA-N +HMDB0050095 900.720690811 TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) C59H96O6 XRLJXFQOTJPGAY-UZHPXNMNSA-N +HMDB0050098 954.767641004 TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 SNZNTALTGPYNEP-NVIVLRCNSA-N +HMDB0050099 952.75199094 TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 CFXLMSTVSIEEEU-BUZVJEKCSA-N +HMDB0050101 938.830241252 TG(18:1(9Z)/22:2(13Z,16Z)/18:1(9Z)) C61H110O6 WUQZNKAJBDSVTJ-SJFSMHLHSA-N +HMDB0050102 966.861541391 TG(18:1(9Z)/22:2(13Z,16Z)/20:1(11Z)) C63H114O6 JBRLOBPZVDQAEA-LNSYPENWSA-N +HMDB0050103 962.830241262 TG(18:1(9Z)/22:2(13Z,16Z)/20:3(5Z,8Z,11Z)) C63H110O6 FWEUKYATQHHVDX-IZLRVPKDSA-N +HMDB0050108 964.845891326 TG(18:1(9Z)/22:2(13Z,16Z)/20:2n6) C63H112O6 JXSMIMXHJNFSLE-SFKXYMDKSA-N +HMDB0050109 962.830241262 TG(18:1(9Z)/22:2(13Z,16Z)/20:3n6) C63H110O6 XXAWZPPLHQUSBP-NPDLIPRWSA-N +HMDB0050117 958.798941133 TG(18:1(9Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 WMLPUCUGYDVCLW-QTTVKSIHSA-N +HMDB0050120 926.866626771 TG(18:1(9Z)/22:2(13Z,16Z)/o-18:0) C61H114O5 XJJRJDAWZMHWKT-PSBJUOIMSA-N +HMDB0050122 962.830241262 TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:1(11Z)) C63H110O6 DQGJZWLEVUCIQR-LTDURSKYSA-N +HMDB0050123 958.798941133 TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)) C63H106O6 XMMKMNSZBLWXRZ-MMPHPFILSA-N +HMDB0050129 958.798941133 TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6) C63H106O6 FJFQEYNMGJSGOC-JATNAISPSA-N +HMDB0050130 956.783291069 TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C63H104O6 VBYQUDJISXINCX-WLNLCUPVSA-N +HMDB0050136 956.783291069 TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C63H104O6 TUYQXUBNEYRCJG-NBGRMRSSSA-N +HMDB0050137 954.767641004 TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 RIWBDVNAXLFKHZ-RHBVWHTNSA-N +HMDB0050139 980.783291069 TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 YFDGJODCMWVLKK-KXRSPVPPSA-N +HMDB0050143 956.783291069 TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)) C63H104O6 DSDYHEOLLZDDPO-POHPUDNUSA-N +HMDB0050148 958.798941133 TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6) C63H106O6 AJANAYCEBNGXKY-RYYXSDIVSA-N +HMDB0050149 956.783291069 TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6) C63H104O6 XGMRMYUHVURNEO-PIUMPBKRSA-N +HMDB0050150 954.767641004 TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C63H102O6 OCHXJPHUWMPWLC-UEFZVEABSA-N +HMDB0050153 980.783291069 TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H104O6 JDVMRQCFIMNFEV-UNYZRFTMSA-N +HMDB0050156 954.767641004 TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C63H102O6 SCBNRRNNYKNHJU-FJSYYMEOSA-N +HMDB0050157 952.75199094 TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 NHHWSKRTYUVOOE-QFQOZKGYSA-N +HMDB0050158 980.783291069 TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 LSMSLBOQWAMLMY-JEHMWTQYSA-N +HMDB0050159 978.767641004 TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 SVVFWKBAVUDOCH-WPTAYSPKSA-N +HMDB0050161 880.751990932 TG(18:1(9Z)/18:3(9Z,12Z,15Z)/18:1(9Z)) C57H100O6 IQZHYABKFPLPHG-XJGYIUASSA-N 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RMJXWEMBRPTSKD-ADPRUSSPSA-N +HMDB0050212 956.783291069 TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C63H104O6 GZUMPLARGPROGA-NDWYHOTDSA-N +HMDB0050213 954.767641004 TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H102O6 ACBRHMNCXHNUSA-KCKINMBPSA-N +HMDB0050215 900.720690811 TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) C59H96O6 VTKPPWHYRVIYMV-QJRFBBHESA-N +HMDB0050218 954.767641004 TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 XOYSWGHQVMLVFO-IXRQMOADSA-N +HMDB0050219 952.75199094 TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 YDCWNPRKDZMBHL-ULWLUBHCSA-N +HMDB0050227 900.720690811 TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)) C59H96O6 ATKWSHJQYSCESK-AEPOAMTOSA-N +HMDB0050231 958.798941133 TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)) C63H106O6 VVRZBMYJHVBGAQ-AVJURUEFSA-N +HMDB0050232 954.767641004 TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C63H102O6 GWUZWGZLGCRJKX-ZWJMLQKPSA-N 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TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H104O6 INEXMIRTZIHZMF-XAYFPZKFSA-N +HMDB0050256 954.767641004 TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C63H102O6 WZOJYIGVMGHKJI-ZBZJQMKUSA-N +HMDB0050257 952.75199094 TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 RFRCPSCGSGYZQU-CRQXUCOVSA-N +HMDB0050258 980.783291069 TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 PMDBBHISOXQRJA-PERFHQINSA-N +HMDB0050259 978.767641004 TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 QUWRGMOSPKXQJN-PHDXMEOESA-N +HMDB0050262 958.798941133 TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) C63H106O6 PMTUBLSDRVNMGS-RFNIHDJFSA-N +HMDB0050263 954.767641004 TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)) C63H102O6 ZVQFZROUAQXGJM-OVNBCYHTSA-N +HMDB0050268 956.783291069 TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6) C63H104O6 WWNWPBUPVCWJHV-JUTILSHASA-N +HMDB0050269 954.767641004 TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6) C63H102O6 PEPRNBOWRGJCFH-WKWDPUHXSA-N +HMDB0050270 952.75199094 TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C63H100O6 GUKADGOJBYUPGU-UNKSTFKMSA-N +HMDB0050272 980.783291069 TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C65H104O6 YMGJAUNSLVNGOU-APJRUKJJSA-N +HMDB0050273 978.767641004 TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H102O6 RUSGNCLMYHYYHV-CYOXCLDKSA-N +HMDB0050275 924.720690811 TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C61H96O6 NWCRHTRUMSZHGL-TZENIUPZSA-N +HMDB0050276 952.75199094 TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C63H100O6 HIHDUURHAHHFSF-FJFLLCHSSA-N +HMDB0050278 978.767641004 TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H102O6 YEPSKQSRIFNCPW-TXVMANKGSA-N +HMDB0050279 976.75199094 TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H100O6 PTACBPKQWASVGS-UGZZNBSXSA-N +HMDB0050282 900.850976706 TG(18:1(9Z)/o-18:0/20:1(11Z)) C59H112O5 OWYOMQRSVDVHPO-AUUXSCGFSA-N +HMDB0050284 928.882276835 TG(18:1(9Z)/o-18:0/22:1(13Z)) C61H116O5 GJNCCQAILGZQPE-LZXJXLBVSA-N +HMDB0050285 956.913576964 TG(18:1(9Z)/o-18:0/24:1(15Z)) C63H120O5 FRRIXNAAJYOQAA-AVIITVFHSA-N +HMDB0050286 870.804026513 TG(18:1(9Z)/o-18:0/18:2(9Z,12Z)) C57H106O5 TUHYVLFMYBFPEE-IJDLEHCASA-N +HMDB0050287 868.788376449 TG(18:1(9Z)/o-18:0/18:3(6Z,9Z,12Z)) C57H104O5 SXXIVYLKZBTODG-VKKPKEGASA-N +HMDB0050291 926.866626771 TG(18:1(9Z)/o-18:0/22:2(13Z,16Z)) C61H114O5 IAKNICPRAKVQME-IVTYRKPFSA-N +HMDB0050294 868.788376449 TG(18:1(9Z)/o-18:0/18:3(9Z,12Z,15Z)) C57H104O5 JLKCEKRVLYHNTR-KJNSHSROSA-N +HMDB0050295 866.772726384 TG(18:1(9Z)/o-18:0/18:4(6Z,9Z,12Z,15Z)) C57H102O5 JYMXJRDHIBKAPL-NKLSPBEBSA-N +HMDB0050301 882.767641004 TG(20:1(11Z)/14:0/20:3(5Z,8Z,11Z)) C57H102O6 SHYQNKZJLJXKPA-MJHHRUIBSA-N +HMDB0050302 914.830241262 TG(20:1(11Z)/14:0/22:1(13Z)) C59H110O6 LJLIFTYRIMZUNV-XWDCVAGASA-N +HMDB0050303 942.861541391 TG(20:1(11Z)/14:0/24:1(15Z)) C61H114O6 IGNHERGRXWPMJH-SUORVOMPSA-N +HMDB0050304 856.75199094 TG(20:1(11Z)/14:0/18:2(9Z,12Z)) C55H100O6 HAGMTXDICLFDOC-MMWLGPPDSA-N +HMDB0050306 884.783291069 TG(20:1(11Z)/14:0/20:2n6) C57H104O6 RKPJGADXZNHPGE-LCVXGRMFSA-N +HMDB0050307 882.767641004 TG(20:1(11Z)/14:0/20:3n6) C57H102O6 WUKREVVPLNPHSK-FKSNBECISA-N +HMDB0050308 880.75199094 TG(20:1(11Z)/14:0/20:4(5Z,8Z,11Z,14Z)) C57H100O6 SDKRXCCKVQOCAO-SOLHDMFPSA-N +HMDB0050313 852.720690811 TG(20:1(11Z)/14:0/18:4(6Z,9Z,12Z,15Z)) C55H96O6 LSFAIOBGARHDLM-UMBRLWILSA-N +HMDB0050314 880.75199094 TG(20:1(11Z)/14:0/20:4(8Z,11Z,14Z,17Z)) C57H100O6 FNZXUUOILKQHJU-APNJFMROSA-N +HMDB0050320 896.783291069 TG(20:1(11Z)/15:0/20:3(5Z,8Z,11Z)) C58H104O6 FGRFOAKBUFMFQQ-YVYSPMOKSA-N +HMDB0050325 898.798941133 TG(20:1(11Z)/15:0/20:2n6) C58H106O6 VGOGEYSPDFHEJZ-RGBKTUGCSA-N +HMDB0050326 896.783291069 TG(20:1(11Z)/15:0/20:3n6) C58H104O6 SOCNQOBFARPJBO-NVTXZIGUSA-N +HMDB0050338 914.830241252 TG(20:1(11Z)/16:0/20:1(11Z)) C59H110O6 LABRUJVSUYYTTA-LBXGSASVSA-N +HMDB0050340 942.861541391 TG(20:1(11Z)/16:0/22:1(13Z)) C61H114O6 LBXWNIAXYWLNFI-QWUUBBNBSA-N +HMDB0050341 970.89284152 TG(20:1(11Z)/16:0/24:1(15Z)) C63H118O6 JLQZYULPGPGUBH-UXCFDMNKSA-N +HMDB0050342 884.783291069 TG(20:1(11Z)/16:0/18:2(9Z,12Z)) C57H104O6 MWGRLUDJZRTHTP-YIECYNBOSA-N +HMDB0050343 882.767641004 TG(20:1(11Z)/16:0/18:3(6Z,9Z,12Z)) C57H102O6 QYLDVVKRGAXESB-QPPZUIHUSA-N +HMDB0050347 940.845891326 TG(20:1(11Z)/16:0/22:2(13Z,16Z)) C61H112O6 OZBDLYCKVSSLBL-GBEOITIKSA-N +HMDB0050350 882.767641004 TG(20:1(11Z)/16:0/18:3(9Z,12Z,15Z)) C57H102O6 YTADVVFTTOMNKE-YKXTZBHWSA-N +HMDB0050351 880.75199094 TG(20:1(11Z)/16:0/18:4(6Z,9Z,12Z,15Z)) C57H100O6 WQMRXKLRGJHYMP-JEVVKXRESA-N +HMDB0050356 874.835326642 TG(20:1(11Z)/16:0/o-18:0) C57H110O5 AYGOZGMOLWTELQ-DGWQIHMPSA-N +HMDB0050357 942.86154138 TG(20:1(11Z)/18:0/20:1(11Z)) C61H114O6 QOFVOYKNSFNVGG-RZEXXKRKSA-N +HMDB0050358 938.830241262 TG(20:1(11Z)/18:0/20:3(5Z,8Z,11Z)) C61H110O6 NIWWYTGJAYUGFA-PWKXCNRQSA-N +HMDB0050359 970.89284152 TG(20:1(11Z)/18:0/22:1(13Z)) C63H118O6 ZROXJHNMTWXXSU-HQBPBTHXSA-N +HMDB0050363 940.845891326 TG(20:1(11Z)/18:0/20:2n6) C61H112O6 OMWMADGRZUDBNS-NOEVCDAPSA-N +HMDB0050364 938.830241262 TG(20:1(11Z)/18:0/20:3n6) C61H110O6 JAPRMSLBZUSCAD-UPCBKKDWSA-N +HMDB0050366 968.877191455 TG(20:1(11Z)/18:0/22:2(13Z,16Z)) C63H116O6 QDWJAQSRCULWCC-VOZBUZFHSA-N +HMDB0050367 964.845891326 TG(20:1(11Z)/18:0/22:4(7Z,10Z,13Z,16Z)) C63H112O6 JOXVEMDPPLURBQ-DOEHVUJYSA-N +HMDB0050368 962.830241262 TG(20:1(11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H110O6 RXMAXLLPNKWYHJ-PVSLLAIASA-N +HMDB0050373 962.830241262 TG(20:1(11Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H110O6 ROEPCWTWFLVVNE-XUFMVWCYSA-N +HMDB0050375 902.866626771 TG(20:1(11Z)/18:0/o-18:0) C59H114O5 DNDQJEPSXBZSNW-DFOJIGQQSA-N +HMDB0050376 970.892841508 TG(20:1(11Z)/20:0/20:1(11Z)) C63H118O6 HIBOOXQOVDHKOV-RZEXXKRKSA-N +HMDB0050377 966.861541391 TG(20:1(11Z)/20:0/20:3(5Z,8Z,11Z)) C63H114O6 PQCPSTGNGBQVPR-IEWNCRJLSA-N +HMDB0050380 940.845891316 TG(20:1(11Z)/20:0/18:2(9Z,12Z)) C61H112O6 WYUNJFXMLHILJN-MSTBSTCSSA-N +HMDB0050381 938.830241262 TG(20:1(11Z)/20:0/18:3(6Z,9Z,12Z)) C61H110O6 VTOFANRVVFEBFP-VMHGLACNSA-N +HMDB0050382 968.877191455 TG(20:1(11Z)/20:0/20:2n6) C63H116O6 OOPMCEWTZJHXQW-NSCYWTOESA-N +HMDB0050383 966.861541391 TG(20:1(11Z)/20:0/20:3n6) C63H114O6 IDGIWWVXFKHRCG-JNOSERLFSA-N +HMDB0050384 964.845891326 TG(20:1(11Z)/20:0/20:4(5Z,8Z,11Z,14Z)) C63H112O6 UEUMJNZAUWBSAC-RDMJPJAWSA-N +HMDB0050388 938.830241262 TG(20:1(11Z)/20:0/18:3(9Z,12Z,15Z)) C61H110O6 KTHQCAZXMMMJNI-VSVWVITESA-N +HMDB0050390 964.845891326 TG(20:1(11Z)/20:0/20:4(8Z,11Z,14Z,17Z)) C63H112O6 YFMDCVKFNONJOO-HUOUOZGCSA-N +HMDB0050391 962.830241262 TG(20:1(11Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H110O6 YWMXFRKULOXAPT-MRGJCOISSA-N +HMDB0050399 968.877191455 TG(20:1(11Z)/22:0/18:2(9Z,12Z)) C63H116O6 XEGBEKAAVUQJRL-NYUYSZTLSA-N +HMDB0050400 966.861541391 TG(20:1(11Z)/22:0/18:3(6Z,9Z,12Z)) C63H114O6 FRAQRWVCMZTLGK-RGDGXKHXSA-N +HMDB0050407 966.861541391 TG(20:1(11Z)/22:0/18:3(9Z,12Z,15Z)) C63H114O6 UTZVSOSRMZACPL-ROPUVPJDSA-N +HMDB0050408 964.845891326 TG(20:1(11Z)/22:0/18:4(6Z,9Z,12Z,15Z)) C63H112O6 SAVXWGBSAALXPY-XUBHAFIFSA-N +HMDB0050413 958.929227028 TG(20:1(11Z)/22:0/o-18:0) C63H122O5 PQLKPQSCLYKAEF-SFTFLQKMSA-N +HMDB0050433 884.78329106 TG(20:1(11Z)/14:1(9Z)/20:1(11Z)) C57H104O6 AVDYVPMWQRDZRZ-JEDOZFSMSA-N +HMDB0050434 880.75199094 TG(20:1(11Z)/14:1(9Z)/20:3(5Z,8Z,11Z)) C57H100O6 JYSAOWHMYRNKSW-DLNVTLNRSA-N +HMDB0050436 940.845891326 TG(20:1(11Z)/14:1(9Z)/24:1(15Z)) C61H112O6 RBUWIFMTDWYJEN-KCPLLMEXSA-N +HMDB0050438 852.720690811 TG(20:1(11Z)/14:1(9Z)/18:3(6Z,9Z,12Z)) C55H96O6 YZEITGDSYFHHEK-AIUKGPHHSA-N +HMDB0050439 882.767641004 TG(20:1(11Z)/14:1(9Z)/20:2n6) C57H102O6 APYYLLXHUQMDDS-IQKRTTMSSA-N +HMDB0050440 880.75199094 TG(20:1(11Z)/14:1(9Z)/20:3n6) C57H100O6 MIFIJCHVVASRCZ-UMNWWONZSA-N +HMDB0050445 852.720690811 TG(20:1(11Z)/14:1(9Z)/18:3(9Z,12Z,15Z)) C55H96O6 KEGWRTMECYJUBP-LTASUQRYSA-N +HMDB0050454 940.845891326 TG(20:1(11Z)/16:1(9Z)/22:1(13Z)) C61H112O6 SIYFOTCMVVGGPK-HGHZMINCSA-N +HMDB0050455 968.877191455 TG(20:1(11Z)/16:1(9Z)/24:1(15Z)) C63H116O6 LZYPGVKOHKHDAD-TZDGBVHQSA-N +HMDB0050456 882.767641004 TG(20:1(11Z)/16:1(9Z)/18:2(9Z,12Z)) C57H102O6 XAHFVLNVNUAPSO-YJXCAZQISA-N +HMDB0050457 880.75199094 TG(20:1(11Z)/16:1(9Z)/18:3(6Z,9Z,12Z)) C57H100O6 OHIKEWGTVMTPFC-GFNRGQKQSA-N +HMDB0050461 938.830241262 TG(20:1(11Z)/16:1(9Z)/22:2(13Z,16Z)) C61H110O6 MEITWFTUQYDSIT-CMFUBODHSA-N +HMDB0050464 880.75199094 TG(20:1(11Z)/16:1(9Z)/18:3(9Z,12Z,15Z)) C57H100O6 HLXCIVKTQOCSJO-VOFAGOTGSA-N +HMDB0050471 940.845891316 TG(20:1(11Z)/18:1(11Z)/20:1(11Z)) C61H112O6 PIMPYDZIXKACMS-HGKIKGFLSA-N +HMDB0050473 968.877191455 TG(20:1(11Z)/18:1(11Z)/22:1(13Z)) C63H116O6 BTOBYBZBYYITRI-UBYAYVOWSA-N +HMDB0050477 938.830241262 TG(20:1(11Z)/18:1(11Z)/20:2n6) C61H110O6 BHMRNZLOEIYPSM-AZOPEHHSSA-N +HMDB0050480 966.861541391 TG(20:1(11Z)/18:1(11Z)/22:2(13Z,16Z)) C63H114O6 SLNSNTKFZUABKK-RLLXGZCISA-N +HMDB0050481 962.830241262 TG(20:1(11Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C63H110O6 AZCFJOQBPCTUJB-IZQQJYTASA-N +HMDB0050488 958.798941133 TG(20:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H106O6 VXEUWHHXKKJFHJ-NAIBVRFTSA-N +HMDB0050489 900.850976706 TG(20:1(11Z)/18:1(11Z)/o-18:0) C59H112O5 LQFACPSTFHEEKK-BMOJGYJNSA-N +HMDB0050490 940.845891316 TG(20:1(11Z)/18:1(9Z)/20:1(11Z)) C61H112O6 IFNVGGQCIPHTPE-CNZAGKLZSA-N +HMDB0050492 968.877191455 TG(20:1(11Z)/18:1(9Z)/22:1(13Z)) C63H116O6 IIVRPCVURYXRKJ-MEYRNFQCSA-N +HMDB0050496 938.830241262 TG(20:1(11Z)/18:1(9Z)/20:2n6) C61H110O6 UNXLYVQSTSVPKP-PNLGGNKPSA-N +HMDB0050499 966.861541391 TG(20:1(11Z)/18:1(9Z)/22:2(13Z,16Z)) C63H114O6 KYMZBLBKJMZRJX-LNSYPENWSA-N +HMDB0050500 962.830241262 TG(20:1(11Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C63H110O6 WPTIBZNSPMSWML-VBCVAJELSA-N +HMDB0050507 958.798941133 TG(20:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H106O6 KPJGNTJVQXQHJJ-DKSTYILTSA-N +HMDB0050508 900.850976706 TG(20:1(11Z)/18:1(9Z)/o-18:0) C59H112O5 FEQGTAIRRDJZLL-LFAHWVCXSA-N +HMDB0050510 964.845891326 TG(20:1(11Z)/20:1(11Z)/20:3(5Z,8Z,11Z)) C63H112O6 NAZBWUYFIUKAKG-UJCIYMNTSA-N +HMDB0050513 938.830241252 TG(20:1(11Z)/20:1(11Z)/18:2(9Z,12Z)) C61H110O6 OYDPSWDUKLRDNF-PAILEEFFSA-N +HMDB0050515 966.861541391 TG(20:1(11Z)/20:1(11Z)/20:2n6) C63H114O6 IXONFDDCPAVLRA-JUCJSMHESA-N +HMDB0050516 964.845891326 TG(20:1(11Z)/20:1(11Z)/20:3n6) C63H112O6 YYDMKYRCWRXENW-RRZSHGKMSA-N +HMDB0050523 962.830241262 TG(20:1(11Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C63H110O6 OJEKPAAJOOGLSW-UNMYWLFTSA-N +HMDB0050527 928.882276835 TG(20:1(11Z)/20:1(11Z)/o-18:0) C61H116O5 QZSMPWVATGOHPH-IRFFKQRJSA-N +HMDB0050528 964.845891316 TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:1(11Z)) C63H112O6 SPCLMIMPBVSZFZ-YGHLKGMQSA-N +HMDB0050534 962.830241262 TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:2n6) C63H110O6 QHLATCHOBPMICE-YATQAVBPSA-N +HMDB0050536 958.798941133 TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)) C63H106O6 DMRCFTQNQMIGTD-IVCRIKDSSA-N +HMDB0050542 958.798941133 TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)) C63H106O6 JRLHDZGAHDVBNN-APRDSBOISA-N +HMDB0050543 956.783291069 TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 HTHXCXIQIAMNEI-LVHJIHQDSA-N +HMDB0050546 924.850976706 TG(20:1(11Z)/20:3(5Z,8Z,11Z)/o-18:0) C61H112O5 XGZIYXWMBQUNLC-ZIYYXOBBSA-N +HMDB0050551 966.861541391 TG(20:1(11Z)/22:1(13Z)/18:2(9Z,12Z)) C63H114O6 UBHZXNRDMRSIPS-HEARNLHVSA-N +HMDB0050552 964.845891326 TG(20:1(11Z)/22:1(13Z)/18:3(6Z,9Z,12Z)) C63H112O6 OZIVOOHFGACURK-ZQCAJQTISA-N +HMDB0050559 964.845891326 TG(20:1(11Z)/22:1(13Z)/18:3(9Z,12Z,15Z)) C63H112O6 AXZAPIACNHHVNU-PJTKLRLGSA-N +HMDB0050560 962.830241262 TG(20:1(11Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z)) C63H110O6 SPUJFJNWFPTYCI-XRXGBTCISA-N +HMDB0050565 956.913576964 TG(20:1(11Z)/22:1(13Z)/o-18:0) C63H120O5 AUNUZTMVWMIQKY-YIBOVCKLSA-N +HMDB0050585 938.830241262 TG(20:1(11Z)/18:2(9Z,12Z)/20:1(11Z)) C61H110O6 RYKBFFKZQHHFOA-GIKFAZOESA-N +HMDB0050587 966.861541391 TG(20:1(11Z)/18:2(9Z,12Z)/22:1(13Z)) C63H114O6 MQKXAZDGXABSQN-MAORRSLFSA-N +HMDB0050594 964.845891326 TG(20:1(11Z)/18:2(9Z,12Z)/22:2(13Z,16Z)) C63H112O6 QRQHIENJPWVWCM-DIROXVHGSA-N +HMDB0050596 958.798941133 TG(20:1(11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H106O6 KNVXBCMILXVLTA-SVPKEUKBSA-N +HMDB0050601 958.798941133 TG(20:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H106O6 BMSWKYPCZHQOJH-RBJHLLPSSA-N +HMDB0050602 956.783291069 TG(20:1(11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H104O6 HATPVFYQRUFDTP-BMDPEGLOSA-N +HMDB0050606 964.845891326 TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:1(13Z)) C63H112O6 IFRXOEIIKSFQOO-RDOOSSCFSA-N +HMDB0050613 962.830241262 TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z)) C63H110O6 CZCGMLNCRPSJDT-BMBDIIHYSA-N +HMDB0050614 958.798941133 TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C63H106O6 RBASRMKCLNNORI-OCGPQTQRSA-N +HMDB0050615 956.783291069 TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H104O6 CQPAGPNRJFQHMN-BUECDCDPSA-N +HMDB0050620 956.783291069 TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 AILHDVOWAUJGKA-NBWVZTQDSA-N +HMDB0050621 954.767641004 TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 IHIIZCPGLXUXFB-KCMLPCOYSA-N +HMDB0050623 966.861541391 TG(20:1(11Z)/20:2n6/20:1(11Z)) C63H114O6 VQFVTSXDLUDVAR-FVCHKXIASA-N +HMDB0050624 962.830241262 TG(20:1(11Z)/20:2n6/20:3(5Z,8Z,11Z)) C63H110O6 OFRMFQDZUZWUCZ-PVTTXIDESA-N +HMDB0050629 964.845891326 TG(20:1(11Z)/20:2n6/20:2n6) C63H112O6 CTTAXJGEXQSTCM-MHDUNFFCSA-N +HMDB0050630 962.830241262 TG(20:1(11Z)/20:2n6/20:3n6) C63H110O6 ZZPHZVWOGZYNAO-FGVDUXSWSA-N +HMDB0050638 958.798941133 TG(20:1(11Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 BZOZGDYJRRGPNI-DKZVVRBJSA-N +HMDB0050641 926.866626771 TG(20:1(11Z)/20:2n6/o-18:0) C61H114O5 JDPQRNIORXECGT-QJGJFOIQSA-N +HMDB0050642 964.845891316 TG(20:1(11Z)/20:3n6/20:1(11Z)) C63H112O6 JDVIBBNZDQDULN-YPDKBCJXSA-N +HMDB0050648 962.830241262 TG(20:1(11Z)/20:3n6/20:2n6) C63H110O6 GWYYYKLEOYWXOZ-QZEFYFLMSA-N +HMDB0050650 958.798941133 TG(20:1(11Z)/20:3n6/20:4(5Z,8Z,11Z,14Z)) C63H106O6 PCDJUEAPQQHKQV-SMLSJBNBSA-N +HMDB0050656 958.798941133 TG(20:1(11Z)/20:3n6/20:4(8Z,11Z,14Z,17Z)) C63H106O6 RSJPFKLHZHQUSD-IVORALRCSA-N +HMDB0050657 956.783291069 TG(20:1(11Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 UJRJCLHLHPOJDC-WEGOEWABSA-N +HMDB0050660 924.850976706 TG(20:1(11Z)/20:3n6/o-18:0) C61H112O5 HTFUIJABEMQZTB-AMCLOICQSA-N +HMDB0050661 962.830241252 TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:1(11Z)) C63H110O6 WMJYOPWQUYFVJJ-FRUAZAKGSA-N +HMDB0050662 958.798941133 TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) C63H106O6 NUTGEMDNMRDLIN-XTPHLAKLSA-N +HMDB0050668 958.798941133 TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6) C63H106O6 KTYNBLWPJGUGJJ-KMKZTWDJSA-N +HMDB0050675 956.783291069 TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) C63H104O6 FBEGIWCDARDTAH-ILJINXJFSA-N +HMDB0050676 954.767641004 TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 HQDWFERRFHDEEB-DVKFJIAFSA-N +HMDB0050678 980.783291069 TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 AZRGVQKDBWALBZ-DNEIXPHUSA-N +HMDB0050684 964.845891326 TG(20:1(11Z)/22:2(13Z,16Z)/18:2(9Z,12Z)) C63H112O6 QYFDEAFYRXDHQK-RVADQAIISA-N +HMDB0050685 962.830241262 TG(20:1(11Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z)) C63H110O6 IKPYKXHCUXCJHN-YEXYKODASA-N +HMDB0050692 962.830241262 TG(20:1(11Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z)) C63H110O6 HHZNVRUBXAYDCQ-USEOZZBRSA-N +HMDB0050698 954.8979269 TG(20:1(11Z)/22:2(13Z,16Z)/o-18:0) C63H118O5 JOGFTXNSXUJXOG-LKSFEHELSA-N +HMDB0050704 958.798941133 TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) C63H106O6 ADKLGQHKFMGSDC-OYPZDABOSA-N +HMDB0050711 958.798941133 TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C63H106O6 JZQYMINNIQSBMO-NAZBZAQCSA-N +HMDB0050712 956.783291069 TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C63H104O6 XFAWUHKFJSCOCU-DDBPSGOTSA-N +HMDB0050717 950.866626771 TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0) C63H114O5 BNRUJXMUWHJABI-VNINXPIWSA-N +HMDB0050722 958.798941133 TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) C63H106O6 GIYUPPWUIAUMIZ-IVYLUZEESA-N +HMDB0050723 956.783291069 TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) C63H104O6 IRUNKUKWFHXBGR-FVIDQVPASA-N +HMDB0050730 956.783291069 TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C63H104O6 QMLRKHJLBXYXOH-WPEGUECLSA-N +HMDB0050731 954.767641004 TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C63H102O6 OQSNLZOBBCMKHQ-VBBNLQCOSA-N +HMDB0050733 980.783291069 TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H104O6 NHGYEISCODGQRT-XZHCGWFCSA-N +HMDB0050736 948.850976706 TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0) C63H112O5 CJXBOQIATYJBPZ-OJHQASDZSA-N +HMDB0050739 964.845891326 TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:1(13Z)) C63H112O6 CGVICJWXMHXXSP-NCFNCNOKSA-N +HMDB0050746 962.830241262 TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z)) C63H110O6 HESVTHZAJFHPDB-BVVIJBOOSA-N +HMDB0050747 958.798941133 TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) C63H106O6 SNJFTPQXHGPDEX-GTJYOHGDSA-N +HMDB0050748 956.783291069 TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H104O6 GTMNASXROGIQBF-FPNCHREUSA-N +HMDB0050753 956.783291069 TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 BBYYUOFBHJZJDM-RHSNWCIXSA-N +HMDB0050754 954.767641004 TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 PRTWBFFOFJFSGB-XHQZZLEISA-N +HMDB0050758 962.830241262 TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z)) C63H110O6 CHPUIFFVSPQGIH-KPLVDUFHSA-N +HMDB0050766 956.783291069 TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) C63H104O6 WTGRDQWTZSUSQB-VCYGCSIGSA-N +HMDB0050767 954.767641004 TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H102O6 GZYXMJLTMGSMEX-QDYCXTLUSA-N +HMDB0050769 900.720690811 TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) C59H96O6 CIHIPEMTHZCHCJ-CBIMVLLVSA-N +HMDB0050772 954.767641004 TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 JKFVBYVUASWLNU-BHEDPJMFSA-N +HMDB0050773 952.75199094 TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 UCHCSQUXSXHUED-UVPLAZAJSA-N +HMDB0050775 962.830241252 TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:1(11Z)) C63H110O6 PRQIXVRXFROCMF-OFGRFLLGSA-N +HMDB0050776 958.798941133 TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) C63H106O6 XFQJFJLWOIVLOP-KSZJBMDGSA-N +HMDB0050782 958.798941133 TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6) C63H106O6 MHYXIAUVXQNGQB-GCOHTBHKSA-N +HMDB0050783 956.783291069 TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) C63H104O6 NLHGMVZOEGWXJR-QQYYTMJFSA-N +HMDB0050789 956.783291069 TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C63H104O6 WBENLJREAPLIFI-GMYGOQFMSA-N +HMDB0050790 954.767641004 TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 CYFFZIAOTBPWJY-RZSYGCQESA-N +HMDB0050792 980.783291069 TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 ZYJWXFJPEXYPPD-YZSRULHISA-N +HMDB0050795 956.783291069 TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) C63H104O6 FJSDZEUICFMRSA-UGHYGFAQSA-N +HMDB0050800 958.798941133 TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6) C63H106O6 QRHBKDZWDQJGCP-XKGBCYOSSA-N +HMDB0050801 956.783291069 TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6) C63H104O6 RRXDJYNFSRXVNG-YKIDQVNOSA-N +HMDB0050802 954.767641004 TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) C63H102O6 FLTZXTYOVWGLNO-BLJYDVJKSA-N +HMDB0050805 980.783291069 TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H104O6 UAOGGKZVARSZGZ-GCGSPWLISA-N +HMDB0050808 954.767641004 TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C63H102O6 NYDVKQSVKPIZDU-VKJFZROSSA-N +HMDB0050809 952.75199094 TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 JAFDAKTXILVQMT-XLPQJPTJSA-N +HMDB0050810 980.783291069 TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 ATZGVMKFUWGRQG-JUJZIHDPSA-N +HMDB0050811 978.767641004 TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 PAKZJLDJBGQIRN-DTFZVQMZSA-N +HMDB0050817 958.798941133 TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) C63H106O6 ZDPAUWXMIGMKJP-BUQALDFZSA-N +HMDB0050818 956.783291069 TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) C63H104O6 DYELJOCDTBVSIU-KZRKMPSUSA-N +HMDB0050825 956.783291069 TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C63H104O6 DPAGBXUISVSPAM-NGIUEERLSA-N +HMDB0050826 954.767641004 TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C63H102O6 SKNOESWTOVXVHT-HZPRMDBYSA-N +HMDB0050828 980.783291069 TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H104O6 JETOMRNEPWRNPU-VPTPVGBGSA-N +HMDB0050831 948.850976706 TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0) C63H112O5 IHAZFQHVOPNHHB-UUKAKDEYSA-N +HMDB0050836 956.783291069 TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) C63H104O6 JVXVUTIOKONCJQ-DZGXTAJQSA-N +HMDB0050837 954.767641004 TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) C63H102O6 JJJUMJWQLFBDTL-DCPLWYPISA-N +HMDB0050840 980.783291069 TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C65H104O6 CIGMJNJLEJRUAW-LUFCSHBLSA-N +HMDB0050844 954.767641004 TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C63H102O6 CALDQAALECKDMI-XIQYZMJFSA-N +HMDB0050845 952.75199094 TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C63H100O6 BZLWKCBUKUANMW-CZGUCGSWSA-N +HMDB0050846 980.783291069 TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C65H104O6 MLYNKZHILBDXAA-AMBRSDIRSA-N +HMDB0050847 978.767641004 TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H102O6 FFYFDHSACVXNGJ-IJKSUETBSA-N +HMDB0050851 928.882276822 TG(20:1(11Z)/o-18:0/20:1(11Z)) C61H116O5 HODDFEFUYCPVTQ-RZEXXKRKSA-N +HMDB0050852 924.850976706 TG(20:1(11Z)/o-18:0/20:3(5Z,8Z,11Z)) C61H112O5 BXABDUMCSIHFIE-DLQGIDGISA-N +HMDB0050853 956.913576964 TG(20:1(11Z)/o-18:0/22:1(13Z)) C63H120O5 NYVBOEBPAQPUMA-RRCUWGHESA-N +HMDB0050857 926.866626771 TG(20:1(11Z)/o-18:0/20:2n6) C61H114O5 PKYHAMJIVRQXKF-IUJIAQQVSA-N +HMDB0050858 924.850976706 TG(20:1(11Z)/o-18:0/20:3n6) C61H112O5 NYZDQWXRUMWJEF-PJQDDADQSA-N +HMDB0050860 954.8979269 TG(20:1(11Z)/o-18:0/22:2(13Z,16Z)) C63H118O5 JQFYUNTYJPUUBW-DELKLOGMSA-N +HMDB0050861 950.866626771 TG(20:1(11Z)/o-18:0/22:4(7Z,10Z,13Z,16Z)) C63H114O5 CRPGFZTUFREYFV-GEDGJZCPSA-N +HMDB0050862 948.850976706 TG(20:1(11Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H112O5 WDXAQMAKFLAOHN-FOHRYCQXSA-N +HMDB0050867 948.850976706 TG(20:1(11Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H112O5 OHDFRISQFVTZCL-ZVAJQFFRSA-N +HMDB0050871 938.830241262 TG(20:3(5Z,8Z,11Z)/14:0/24:1(15Z)) C61H110O6 GAQSYHGNKUYUAQ-GIICRSPRSA-N +HMDB0050872 852.720690811 TG(20:3(5Z,8Z,11Z)/14:0/18:2(9Z,12Z)) C55H96O6 CSHNWGMOFDDION-DFTHNFDESA-N +HMDB0050874 880.75199094 TG(20:3(5Z,8Z,11Z)/14:0/20:2n6) C57H100O6 TVFKBKZPDYIUEQ-TUUNMDAESA-N +HMDB0050885 900.720690811 TG(20:3(5Z,8Z,11Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C59H96O6 LSYRFXMMGSZPLP-VCRACHTMSA-N +HMDB0050886 842.772726384 TG(20:3(5Z,8Z,11Z)/14:0/o-18:0) C55H102O5 YSTMVIOAKCDXEL-CAMJIYRZSA-N +HMDB0050906 938.830241262 TG(20:3(5Z,8Z,11Z)/16:0/22:1(13Z)) C61H110O6 MVIQOCPGVCDPJO-AFLFQSMPSA-N +HMDB0050907 966.861541391 TG(20:3(5Z,8Z,11Z)/16:0/24:1(15Z)) C63H114O6 QCRGSRJHSCHLOD-HOODNAODSA-N +HMDB0050908 880.75199094 TG(20:3(5Z,8Z,11Z)/16:0/18:2(9Z,12Z)) C57H100O6 AMYBBMIDIXFAAQ-ASRHAWKCSA-N +HMDB0050922 870.804026513 TG(20:3(5Z,8Z,11Z)/16:0/o-18:0) C57H106O5 TYZDMXCEMORABR-XKSOYUSWSA-N +HMDB0050924 966.861541391 TG(20:3(5Z,8Z,11Z)/18:0/22:1(13Z)) C63H114O6 AONZFAXPHFTHIO-KUIHNVKKSA-N +HMDB0050931 964.845891326 TG(20:3(5Z,8Z,11Z)/18:0/22:2(13Z,16Z)) C63H112O6 LHTAXCCUUDIJJC-LVZFOJSQSA-N +HMDB0050933 958.798941133 TG(20:3(5Z,8Z,11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H106O6 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962.830241262 TG(20:3(5Z,8Z,11Z)/22:0/18:3(9Z,12Z,15Z)) C63H110O6 OSSYIJMBFKKOMK-HFQLDRFKSA-N +HMDB0050976 954.8979269 TG(20:3(5Z,8Z,11Z)/22:0/o-18:0) C63H118O5 RYAUACKFYWJJEY-SZPOQHLJSA-N +HMDB0051005 900.720690811 TG(20:3(5Z,8Z,11Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C59H96O6 QZQJDOWDQQNPNJ-ARKGNJADSA-N +HMDB0051010 900.720690811 TG(20:3(5Z,8Z,11Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C59H96O6 AEIYVURNZPSTRI-YGACXUFVSA-N +HMDB0051015 964.845891326 TG(20:3(5Z,8Z,11Z)/16:1(9Z)/24:1(15Z)) C63H112O6 ZNDLKGOPISOCOU-LAUYFDRRSA-N +HMDB0051027 900.720690811 TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C59H96O6 WJLTVCYAAPDLHN-BVBLATKGSA-N +HMDB0051030 868.788376449 TG(20:3(5Z,8Z,11Z)/16:1(9Z)/o-18:0) C57H104O5 BUUOSXNVBINTDM-DIOVRTRQSA-N +HMDB0051032 964.845891326 TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:1(13Z)) C63H112O6 JIAJTOHVOZEPJW-WWJPPPJVSA-N +HMDB0051039 962.830241262 TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:2(13Z,16Z)) C63H110O6 XWBXEKHMDWEGSR-DTHGWXTRSA-N +HMDB0051040 958.798941133 TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C63H106O6 VUABVSDTWKAGBK-IPLKSACCSA-N +HMDB0051041 956.783291069 TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H104O6 SPIHSNCGRXGHRO-SMSDKZIZSA-N +HMDB0051046 956.783291069 TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 UYCTVQQBNMEKIQ-NFXPMROUSA-N +HMDB0051047 954.767641004 TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 YTJVEHDHQJQWGG-JWYHTXHQSA-N +HMDB0051050 964.845891326 TG(20:3(5Z,8Z,11Z)/18:1(9Z)/22:1(13Z)) C63H112O6 ULRKYPIVIHSCGJ-ZYCSCMNVSA-N +HMDB0051057 962.830241262 TG(20:3(5Z,8Z,11Z)/18:1(9Z)/22:2(13Z,16Z)) C63H110O6 DBOXIHBAINITHH-WMSBSANISA-N +HMDB0051058 958.798941133 TG(20:3(5Z,8Z,11Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C63H106O6 SXPQPXRSBLSSAC-CXBYFZKBSA-N +HMDB0051059 956.783291069 TG(20:3(5Z,8Z,11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H104O6 PFLHGEYNZZRPBP-PPOZKYPFSA-N +HMDB0051064 956.783291069 TG(20:3(5Z,8Z,11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 SSPNCRHVPPGOSG-LLXLJNMZSA-N +HMDB0051065 954.767641004 TG(20:3(5Z,8Z,11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 WNTXQOREERQHJA-NECXREMISA-N +HMDB0051072 962.830241262 TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:2n6) C63H110O6 KHTCDNIANMRTHD-CBFJKXGMSA-N +HMDB0051074 958.798941133 TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C63H106O6 FNVXDAXZGGBYJV-FAKGREKGSA-N +HMDB0051080 958.798941133 TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C63H106O6 PYHYTXIIXWEHSC-XWNCALLUSA-N +HMDB0051081 956.783291069 TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 BINYJEJVCIPSFI-ZEIIWBPJSA-N +HMDB0051084 924.850976706 TG(20:3(5Z,8Z,11Z)/20:1(11Z)/o-18:0) C61H112O5 GCRBDMOHZRWTQB-DLQGIDGISA-N +HMDB0051085 956.78329106 TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) C63H104O6 XWDKUUOKCJGHBE-RTQNNJNFSA-N +HMDB0051090 958.798941133 TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/20:2n6) C63H106O6 BWXJGGJFPJYWNA-SXRRXPAXSA-N +HMDB0051091 956.783291069 TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/20:3n6) C63H104O6 PEIWINCKWDTWRA-UPFOJVNOSA-N +HMDB0051092 954.767641004 TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)) C63H102O6 YCOZIWGZFLMTFA-OUROJBLNSA-N +HMDB0051095 980.783291069 TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H104O6 GOMWYYIOHUUNDY-DWUFDDORSA-N +HMDB0051098 954.767641004 TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)) C63H102O6 DHAQDRDVKDGNJH-LAHJCCLASA-N +HMDB0051099 952.75199094 TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 CDGBKFWHRXPNIS-ORLBESOTSA-N +HMDB0051100 980.783291069 TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 RAEGSWCAOPPSJQ-UVBCVTSLSA-N +HMDB0051101 978.767641004 TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 NGIXVWBHYCBVSU-KWSDDCTPSA-N +HMDB0051106 962.830241262 TG(20:3(5Z,8Z,11Z)/22:1(13Z)/18:2(9Z,12Z)) C63H110O6 HYQDCVGUIPYREC-CTWKOWSJSA-N +HMDB0051115 958.798941133 TG(20:3(5Z,8Z,11Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z)) C63H106O6 LKEFQOSBUFGTFE-KBLHDZGZSA-N +HMDB0051120 952.882276835 TG(20:3(5Z,8Z,11Z)/22:1(13Z)/o-18:0) C63H116O5 ZWNLCOBYNICJOK-GKEXURIISA-N +HMDB0051140 962.830241262 TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:1(13Z)) C63H110O6 FFVISGZUNRMRSS-GBRJBTATSA-N +HMDB0051148 956.783291069 TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C63H104O6 KIJAVMZBMCLIEW-OGMVDTFRSA-N +HMDB0051149 954.767641004 TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H102O6 QCIVLXQVYGLERQ-YSISNIMRSA-N +HMDB0051151 900.720690811 TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) C59H96O6 HNCSGYNWTZTAKF-KDYXFAGWSA-N +HMDB0051154 954.767641004 TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 SVBUNVHEBALJFL-MUVWSPMXSA-N +HMDB0051155 952.75199094 TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 LTMMYRYQSSNANI-GUDQXNRESA-N +HMDB0051161 900.720690811 TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) C59H96O6 JHBQRHHIBFVBER-YCNPISPFSA-N +HMDB0051165 958.798941133 TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z)) C63H106O6 CANUGJFNUXQJNT-FGHNRAHXSA-N +HMDB0051166 954.767641004 TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C63H102O6 IIFYGJBPANGSOD-MNKQRYLNSA-N +HMDB0051167 952.75199094 TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H100O6 DOVUUWKFUZDTOP-NEVHFMIHSA-N +HMDB0051168 900.720690811 TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) C59H96O6 KBDOPVRVUZKPQY-ZUKUAAGZSA-N +HMDB0051171 924.720690811 TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C61H96O6 XMVHZFQXXQHPFZ-WRDFVJMZSA-N +HMDB0051172 952.75199094 TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H100O6 JBOWPSIDPCYDPQ-KGALQOPBSA-N +HMDB0051175 958.798941133 TG(20:3(5Z,8Z,11Z)/20:2n6/20:3(5Z,8Z,11Z)) C63H106O6 CFDDNXGICWHOFE-GDGOABOLSA-N +HMDB0051181 958.798941133 TG(20:3(5Z,8Z,11Z)/20:2n6/20:3n6) C63H106O6 QJHAAKMJLURPNY-ROWHQPMDSA-N +HMDB0051182 956.783291069 TG(20:3(5Z,8Z,11Z)/20:2n6/20:4(5Z,8Z,11Z,14Z)) C63H104O6 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978.767641004 TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H102O6 JEYAIOVCJUFECT-VRVABZEDSA-N +HMDB0051223 924.720690811 TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) C61H96O6 ILYJVOJSUJTWSZ-NPUSVTHISA-N +HMDB0051224 952.75199094 TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) C63H100O6 PTQQCZRZVMTOPI-XZWLWHDJSA-N +HMDB0051226 978.767641004 TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H102O6 KSQBRKREYMTJTD-OTLZCYCTSA-N +HMDB0051227 976.75199094 TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H100O6 GVAIQYMZMOVIIO-QUZFHRACSA-N +HMDB0051233 958.798941133 TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z)) C63H106O6 GAOSCGSBKHEEEX-ABJDQFALSA-N +HMDB0051240 958.798941133 TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z)) C63H106O6 KIWZLPDMTTVSIN-TTZZXANXSA-N +HMDB0051241 956.783291069 TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C63H104O6 QARMSZHUPFDIOQ-YZFJRGECSA-N +HMDB0051246 950.866626771 TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/o-18:0) C63H114O5 BLZIAWKRCIQGBQ-AOWUCYNHSA-N +HMDB0051250 956.783291069 TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) C63H104O6 WOJXCZKSQBKVOE-UORRIGRCSA-N +HMDB0051251 954.767641004 TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) C63H102O6 UYVKSOXJHUKFRF-OLSPFBNXSA-N +HMDB0051254 980.783291069 TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C65H104O6 HVTFPWMQNVTIML-PLDCIXBOSA-N +HMDB0051258 954.767641004 TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C63H102O6 YUMXSFGYXZWQHW-ZIHOGKDTSA-N +HMDB0051259 952.75199094 TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C63H100O6 XRUFDENJLIKWQM-BMLWEGOXSA-N +HMDB0051260 980.783291069 TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C65H104O6 XAOROXTUFKKLJS-GTKGGICPSA-N +HMDB0051261 978.767641004 TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H102O6 KABLDRAFWYQMHA-HSIBCAEWSA-N +HMDB0051265 980.78329106 TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)) C65H104O6 ZYIATLWLTAHQNK-GQPWPGGBSA-N +HMDB0051268 954.767641004 TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) C63H102O6 NSRPQFRLJZJCJC-NISJHCRLSA-N +HMDB0051269 952.75199094 TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) C63H100O6 GHFSVCDRQBJIQA-ZPZLRPDQSA-N +HMDB0051271 980.783291069 TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6) C65H104O6 ZCVSDPAGUYLRRT-YQPODTRMSA-N +HMDB0051272 978.767641004 TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C65H102O6 SPANQEOGZHFPCM-MQFWZRRQSA-N +HMDB0051276 952.75199094 TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C63H100O6 PZHLNSMCTKLDQD-CZNVVHMLSA-N +HMDB0051278 978.767641004 TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C65H102O6 ZGXGANOLCKKLJU-OEWQLUOHSA-N +HMDB0051279 976.75199094 TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H100O6 HXSQHIRLTXCUEB-DMFGDNGGSA-N +HMDB0051282 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952.751990932 TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) C63H100O6 SHAZOGSUZIJZCI-XRBFEMGHSA-N +HMDB0051341 924.720690811 TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)) C61H96O6 USRVRQGAHXFQJK-DTSGAXQZSA-N +HMDB0051342 954.767641004 TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6) C63H102O6 PHZLRGDIBRAISL-QEMHPNPASA-N +HMDB0051343 952.75199094 TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6) C63H100O6 FZUWITUYYOHATE-MFOQZELTSA-N +HMDB0051346 978.767641004 TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C65H102O6 AUZXYDGDYWCTNI-SYAVOLNWSA-N +HMDB0051347 976.75199094 TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H100O6 DZEYBXMCOFPWNY-VPTPIRGESA-N +HMDB0051348 924.720690811 TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) C61H96O6 VBUPWWIRBFWNGJ-YIGWYZDQSA-N +HMDB0051352 976.75199094 TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H100O6 LYMIXKGUZOITPL-UILJZFOVSA-N +HMDB0051353 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UBSHSSBEIAVWOU-LBXGSASVSA-N +HMDB0051446 940.845891326 TG(22:1(13Z)/16:0/20:2n6) C61H112O6 BZDZWWVXHKYJJZ-MNQWXSIMSA-N +HMDB0051447 938.830241262 TG(22:1(13Z)/16:0/20:3n6) C61H110O6 CNDQFBSWPRXSTI-IQEMJYAVSA-N +HMDB0051449 968.877191455 TG(22:1(13Z)/16:0/22:2(13Z,16Z)) C63H116O6 FVDYYPMNUFXGPD-SWORMYSDSA-N +HMDB0051450 964.845891326 TG(22:1(13Z)/16:0/22:4(7Z,10Z,13Z,16Z)) C63H112O6 YHKXBBUZMDPXSA-GJYKUPRLSA-N +HMDB0051451 962.830241262 TG(22:1(13Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H110O6 YSPOTOBPQXVIKH-RYVVUGRYSA-N +HMDB0051456 962.830241262 TG(22:1(13Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H110O6 FFRUWMSJKGSWRM-PCPUPOLYSA-N +HMDB0051458 902.866626771 TG(22:1(13Z)/16:0/o-18:0) C59H114O5 DXLAMQSKKMZWNP-AZOUTRKJSA-N +HMDB0051461 940.845891326 TG(22:1(13Z)/18:0/18:2(9Z,12Z)) C61H112O6 SCINELBMQVGABE-CGSGPZGSSA-N +HMDB0051462 938.830241262 TG(22:1(13Z)/18:0/18:3(6Z,9Z,12Z)) C61H110O6 VCPLVQPYTVTKNH-UANQULQISA-N +HMDB0051463 968.877191455 TG(22:1(13Z)/18:0/20:2n6) C63H116O6 VVFRIVIQQBOTDF-KKKPCJSSSA-N +HMDB0051464 966.861541391 TG(22:1(13Z)/18:0/20:3n6) C63H114O6 NFQNKTWBGDXABY-UBYMWZGESA-N +HMDB0051465 964.845891326 TG(22:1(13Z)/18:0/20:4(5Z,8Z,11Z,14Z)) C63H112O6 OIMOXMXEHNPADS-GAZXSFRPSA-N +HMDB0051469 938.830241262 TG(22:1(13Z)/18:0/18:3(9Z,12Z,15Z)) C61H110O6 PGNCZCAOFLJMMB-PMEQYAFJSA-N +HMDB0051471 964.845891326 TG(22:1(13Z)/18:0/20:4(8Z,11Z,14Z,17Z)) C63H112O6 VFWNWLUEZNPXHB-LZHILDLJSA-N +HMDB0051472 962.830241262 TG(22:1(13Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H110O6 MODPITGELPIGOT-LLSJPXHWSA-N +HMDB0051478 968.877191455 TG(22:1(13Z)/20:0/18:2(9Z,12Z)) C63H116O6 AVPYORJSIJFEAZ-LIPCYRNNSA-N +HMDB0051479 966.861541391 TG(22:1(13Z)/20:0/18:3(6Z,9Z,12Z)) C63H114O6 DFWJNSRUGPXPNK-SFBWWLFMSA-N +HMDB0051486 966.861541391 TG(22:1(13Z)/20:0/18:3(9Z,12Z,15Z)) C63H114O6 JNDBWTLJGLLSAK-HWMIBPLFSA-N +HMDB0051487 964.845891326 TG(22:1(13Z)/20:0/18:4(6Z,9Z,12Z,15Z)) C63H112O6 HSOJKQPYAKFWOR-LRVAFUCOSA-N +HMDB0051492 958.929227028 TG(22:1(13Z)/20:0/o-18:0) C63H122O5 DUEKVDIAQKILOH-NYRYLARASA-N +HMDB0051527 940.845891316 TG(22:1(13Z)/14:1(9Z)/22:1(13Z)) C61H112O6 STYLBDUVJOXRMQ-JEDOZFSMSA-N +HMDB0051528 968.877191455 TG(22:1(13Z)/14:1(9Z)/24:1(15Z)) C63H116O6 KTCYPQYXMMRSJQ-BKDMQJNTSA-N +HMDB0051529 882.767641004 TG(22:1(13Z)/14:1(9Z)/18:2(9Z,12Z)) C57H102O6 AMRBACSYMREFMZ-JRGBJOFLSA-N +HMDB0051530 880.75199094 TG(22:1(13Z)/14:1(9Z)/18:3(6Z,9Z,12Z)) C57H100O6 PPUMCDNARAYNQV-QICALWOQSA-N +HMDB0051534 938.830241262 TG(22:1(13Z)/14:1(9Z)/22:2(13Z,16Z)) C61H110O6 LOKPBYPRLSRHNU-ZZKVCCDWSA-N +HMDB0051537 880.75199094 TG(22:1(13Z)/14:1(9Z)/18:3(9Z,12Z,15Z)) C57H100O6 AXCNRVAYUVDITR-AUCRTYPQSA-N +HMDB0051544 968.877191444 TG(22:1(13Z)/16:1(9Z)/22:1(13Z)) C63H116O6 WCCRVFFTKSGKIN-CABVQDRLSA-N +HMDB0051548 938.830241262 TG(22:1(13Z)/16:1(9Z)/20:2n6) C61H110O6 ZQAVPFDERBCAHC-DEDAJHKLSA-N +HMDB0051551 966.861541391 TG(22:1(13Z)/16:1(9Z)/22:2(13Z,16Z)) C63H114O6 KGIVQHRXQYBBBF-DQNLWXPUSA-N +HMDB0051552 962.830241262 TG(22:1(13Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C63H110O6 ZNAJMOCCTZFALW-WQUMFGDKSA-N +HMDB0051559 958.798941133 TG(22:1(13Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H106O6 CEJOBDUANZCCOB-IHIVVMQCSA-N +HMDB0051560 900.850976706 TG(22:1(13Z)/16:1(9Z)/o-18:0) C59H112O5 LQPSWGXHWSIHNS-WOQPDSBWSA-N +HMDB0051563 938.830241262 TG(22:1(13Z)/18:1(11Z)/18:2(9Z,12Z)) C61H110O6 MTZJVBULFGKJAO-YZDRKDPZSA-N +HMDB0051565 966.861541391 TG(22:1(13Z)/18:1(11Z)/20:2n6) C63H114O6 IHZYTFVUDKSYSQ-FJJSSVLFSA-N +HMDB0051566 964.845891326 TG(22:1(13Z)/18:1(11Z)/20:3n6) C63H112O6 ZLWQYLIHICZAQN-KWWLSZTKSA-N +HMDB0051567 962.830241262 TG(22:1(13Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C63H110O6 SEYKPSIUYHSDMB-DLSZPKIBSA-N +HMDB0051573 962.830241262 TG(22:1(13Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C63H110O6 BICJWANPZUYADQ-GOPIJOIKSA-N +HMDB0051577 928.882276835 TG(22:1(13Z)/18:1(11Z)/o-18:0) C61H116O5 OKBVCTPHTHIETD-QNSGHZAOSA-N +HMDB0051580 938.830241262 TG(22:1(13Z)/18:1(9Z)/18:2(9Z,12Z)) C61H110O6 JINIMSFSEKJDPB-QKDFGVCKSA-N +HMDB0051582 966.861541391 TG(22:1(13Z)/18:1(9Z)/20:2n6) C63H114O6 JTHJRVKYZXTUQN-HQAASMSZSA-N +HMDB0051583 964.845891326 TG(22:1(13Z)/18:1(9Z)/20:3n6) C63H112O6 LDQMUQGHUBNDTF-GTUCKFPMSA-N +HMDB0051584 962.830241262 TG(22:1(13Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C63H110O6 UFGDTAVYJRCYSY-DHVBBUFVSA-N +HMDB0051590 962.830241262 TG(22:1(13Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C63H110O6 SWRZTLLFJSEQMV-BRDXCCORSA-N +HMDB0051594 928.882276835 TG(22:1(13Z)/18:1(9Z)/o-18:0) C61H116O5 WAOXSFHCGYXKMU-SGRYFNBKSA-N +HMDB0051597 966.861541391 TG(22:1(13Z)/20:1(11Z)/18:2(9Z,12Z)) C63H114O6 PDCZMYYCRMCWTG-HEARNLHVSA-N +HMDB0051598 964.845891326 TG(22:1(13Z)/20:1(11Z)/18:3(6Z,9Z,12Z)) C63H112O6 UHCRYPFJSBIIRR-ZQCAJQTISA-N +HMDB0051605 964.845891326 TG(22:1(13Z)/20:1(11Z)/18:3(9Z,12Z,15Z)) C63H112O6 ANCUFEBJPNGQKK-PJTKLRLGSA-N +HMDB0051606 962.830241262 TG(22:1(13Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C63H110O6 RMAOBGGCPVHDLB-XRXGBTCISA-N +HMDB0051611 956.913576964 TG(22:1(13Z)/20:1(11Z)/o-18:0) C63H120O5 CTLXHWRJDCSACX-YIBOVCKLSA-N +HMDB0051614 962.830241262 TG(22:1(13Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)) C63H110O6 RHAIVLSTPJTGRI-ZVAVANMKSA-N +HMDB0051623 958.798941133 TG(22:1(13Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)) C63H106O6 PFJYUMJZKKKZDO-ODCYVJEASA-N +HMDB0051628 952.882276835 TG(22:1(13Z)/20:3(5Z,8Z,11Z)/o-18:0) C63H116O5 JMSQUIMJQZICKW-JQYGDSFPSA-N +HMDB0051667 964.845891326 TG(22:1(13Z)/18:2(9Z,12Z)/20:2n6) C63H112O6 SZJQKGFMCYFPGP-XLVSEXCPSA-N +HMDB0051668 962.830241262 TG(22:1(13Z)/18:2(9Z,12Z)/20:3n6) C63H110O6 CUSUSJFFOGKHBB-YDBHCJRHSA-N +HMDB0051676 958.798941133 TG(22:1(13Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 QPELGHLJZRAEJZ-GESHDORNSA-N +HMDB0051679 926.866626771 TG(22:1(13Z)/18:2(9Z,12Z)/o-18:0) C61H114O5 VBIJXNNOTQKKMT-KMJYMJAJSA-N +HMDB0051684 962.830241262 TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:2n6) C63H110O6 PKRMTWZVLNHVCA-ZWMBMBCSSA-N +HMDB0051686 958.798941133 TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) C63H106O6 YOKRIONVIOTDSJ-LNNOEQMBSA-N +HMDB0051692 958.798941133 TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) C63H106O6 LQJPCYRTCWFLFO-KTHCYZSRSA-N +HMDB0051693 956.783291069 TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 ITLCIQWCSXSTJO-RGZRHKEBSA-N +HMDB0051696 924.850976706 TG(22:1(13Z)/18:3(6Z,9Z,12Z)/o-18:0) C61H112O5 DKJQAINPSUNNDI-ZHZMXFNBSA-N +HMDB0051699 964.845891326 TG(22:1(13Z)/20:2n6/18:2(9Z,12Z)) C63H112O6 VGUNDIMKOJFCKY-XLVSEXCPSA-N +HMDB0051700 962.830241262 TG(22:1(13Z)/20:2n6/18:3(6Z,9Z,12Z)) C63H110O6 VDRHQUDGPLPDPR-HXPJWBRTSA-N +HMDB0051707 962.830241262 TG(22:1(13Z)/20:2n6/18:3(9Z,12Z,15Z)) C63H110O6 KNVSDJVHRPAOCP-QLVRQTKUSA-N +HMDB0051713 954.8979269 TG(22:1(13Z)/20:2n6/o-18:0) C63H118O5 PFINDNIYLCOJHX-XKFLIONZSA-N +HMDB0051716 962.830241262 TG(22:1(13Z)/20:3n6/18:2(9Z,12Z)) C63H110O6 BQXCEUPRWWRHCG-ZOLJBPJSSA-N +HMDB0051725 958.798941133 TG(22:1(13Z)/20:3n6/18:4(6Z,9Z,12Z,15Z)) C63H106O6 SAWHJLXGHUDEDK-BPOHVAMESA-N +HMDB0051730 952.882276835 TG(22:1(13Z)/20:3n6/o-18:0) C63H116O5 IDBSAKGNYNUSJB-RSZPGGPNSA-N +HMDB0051734 958.798941133 TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) C63H106O6 FPHMGBWHJXWNSY-KDCVKOTRSA-N +HMDB0051741 958.798941133 TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) C63H106O6 QGLJFPIPRSJLBD-GRHAPZGTSA-N +HMDB0051742 956.783291069 TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) C63H104O6 WFNPIEVTDGQDNF-BTLOHRQRSA-N +HMDB0051747 950.866626771 TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0) C63H114O5 NFYYDFZZKBBWRC-WYOGKZTQSA-N +HMDB0051803 962.830241262 TG(22:1(13Z)/18:3(9Z,12Z,15Z)/20:2n6) C63H110O6 GITBOGBAISSPME-QLVRQTKUSA-N +HMDB0051805 958.798941133 TG(22:1(13Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) C63H106O6 ZTJYQIYMUQWSOC-RTHZBEBXSA-N +HMDB0051811 958.798941133 TG(22:1(13Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) C63H106O6 FSGZYGYLCKMUKP-JOPRWWPBSA-N +HMDB0051812 956.783291069 TG(22:1(13Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 NLIRMXKSZFVANY-QOHOVFPRSA-N +HMDB0051815 924.850976706 TG(22:1(13Z)/18:3(9Z,12Z,15Z)/o-18:0) C61H112O5 FTYRINBVXMECCW-NUNGZDAFSA-N +HMDB0051821 958.798941133 TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6) C63H106O6 QCZNYKXKMTUJGT-VTPCHKJASA-N +HMDB0051822 956.783291069 TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) C63H104O6 NWUKMNBNRHWGKD-YUPMGCFISA-N +HMDB0051828 956.783291069 TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) C63H104O6 GAGJGQSTFRQNAT-JHTBMAAWSA-N +HMDB0051829 954.767641004 TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 DCYWSDMCLMGYLN-VCINXCKRSA-N +HMDB0051831 980.783291069 TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 HHDZLCQDAWUVBO-FPPATSECSA-N +HMDB0051836 958.798941133 TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)) C63H106O6 TWMZUNYBAPKPNZ-TWAKDILZSA-N +HMDB0051843 958.798941133 TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) C63H106O6 IWLAXAPEIGUTCB-OOHWCSMUSA-N +HMDB0051844 956.783291069 TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) C63H104O6 CEDIQWAKNMQFHR-ADTHWEOGSA-N +HMDB0051849 950.866626771 TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0) C63H114O5 HUNYHNIYIYCFKC-LPSAMZCDSA-N +HMDB0051852 958.798941133 TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)) C63H106O6 PBKAVJDINREZJK-VKQQFCBNSA-N +HMDB0051853 956.783291069 TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)) C63H104O6 ODFCEYTWBQSXQC-GNUIQNHZSA-N +HMDB0051860 956.783291069 TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) C63H104O6 MNOSBSFAFCETAL-VJXNLZDLSA-N +HMDB0051861 954.767641004 TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) C63H102O6 NGQPUERHGUGMCW-GHTHOHBRSA-N +HMDB0051863 980.783291069 TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H104O6 ZZHQPHMTXYHRIT-OBQUUIHPSA-N +HMDB0051866 948.850976706 TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0) C63H112O5 DUYBKOXPEWXVRC-VEDBHAGFSA-N +HMDB0051895 980.783291069 TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C65H104O6 BXWJNVALZYFZLM-NPRDMZFTSA-N +HMDB0051903 926.866626771 TG(22:1(13Z)/o-18:0/18:2(9Z,12Z)) C61H114O5 SDWPVMNEXQULAT-KMJYMJAJSA-N +HMDB0051904 924.850976706 TG(22:1(13Z)/o-18:0/18:3(6Z,9Z,12Z)) C61H112O5 YBMSPSGALOVJLN-WEGMRAKCSA-N +HMDB0051905 954.8979269 TG(22:1(13Z)/o-18:0/20:2n6) C63H118O5 VRADBIPNMXGYIT-XKFLIONZSA-N +HMDB0051906 952.882276835 TG(22:1(13Z)/o-18:0/20:3n6) C63H116O5 DMGBYZOKWLAVIY-ZHJDXWBJSA-N +HMDB0051907 950.866626771 TG(22:1(13Z)/o-18:0/20:4(5Z,8Z,11Z,14Z)) C63H114O5 BPRIEDPMPZRCDU-TUGJCTNUSA-N +HMDB0051911 924.850976706 TG(22:1(13Z)/o-18:0/18:3(9Z,12Z,15Z)) C61H112O5 RYXWSTIICMYXLZ-NUNGZDAFSA-N +HMDB0051913 950.866626771 TG(22:1(13Z)/o-18:0/20:4(8Z,11Z,14Z,17Z)) C63H114O5 JIJSROMUTDPOMJ-DIIGKJGESA-N +HMDB0051914 948.850976706 TG(22:1(13Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H112O5 IEOSRVGEECHXBY-YQRHRKITSA-N +HMDB0051920 940.845891326 TG(24:1(15Z)/14:0/20:2n6) C61H112O6 OFHXYQPJQBMTND-GQHCNAEHSA-N +HMDB0051921 938.830241262 TG(24:1(15Z)/14:0/20:3n6) C61H110O6 XHCVMVYSBUVFNX-SUDOPNQZSA-N +HMDB0051923 968.877191455 TG(24:1(15Z)/14:0/22:2(13Z,16Z)) C63H116O6 ZXIGPBPGGKUILK-RZNDGKSGSA-N +HMDB0051924 964.845891326 TG(24:1(15Z)/14:0/22:4(7Z,10Z,13Z,16Z)) C63H112O6 FRJVUQNOKPPWFF-BVRGJCLJSA-N +HMDB0051925 962.830241262 TG(24:1(15Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H110O6 DKFCABSRSLZDFF-DPRADSHVSA-N +HMDB0051930 962.830241262 TG(24:1(15Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H110O6 OCZVBYXRRPOZFY-YQZKCMBXSA-N +HMDB0051932 902.866626771 TG(24:1(15Z)/14:0/o-18:0) C59H114O5 ZUDALJHGXKNMOO-LDEKSDTBSA-N +HMDB0051950 940.845891326 TG(24:1(15Z)/16:0/18:2(9Z,12Z)) C61H112O6 ULURBNZZTGHIHV-PWVLQJRVSA-N +HMDB0051951 938.830241262 TG(24:1(15Z)/16:0/18:3(6Z,9Z,12Z)) C61H110O6 GBQSFVXSYJLCAE-YQDBSOIPSA-N +HMDB0051952 968.877191455 TG(24:1(15Z)/16:0/20:2n6) C63H116O6 QUQYRBGCIMSPCK-XTWJSKLOSA-N +HMDB0051953 966.861541391 TG(24:1(15Z)/16:0/20:3n6) C63H114O6 XZWHNXBAQKSDHH-JZTMEDRYSA-N +HMDB0051954 964.845891326 TG(24:1(15Z)/16:0/20:4(5Z,8Z,11Z,14Z)) C63H112O6 QSWDCFMAGFRFLB-BDZCCHQKSA-N +HMDB0051958 938.830241262 TG(24:1(15Z)/16:0/18:3(9Z,12Z,15Z)) C61H110O6 QCNRTBOAVXTQRH-SNKJKWPVSA-N +HMDB0051960 964.845891326 TG(24:1(15Z)/16:0/20:4(8Z,11Z,14Z,17Z)) C63H112O6 BXVJGJVJSKVGMC-ODQDLHOGSA-N +HMDB0051961 962.830241262 TG(24:1(15Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H110O6 OYZCTROWQJHDDM-ULEWYUDKSA-N +HMDB0051966 968.877191455 TG(24:1(15Z)/18:0/18:2(9Z,12Z)) C63H116O6 UFUYTFWOBBTMIA-JOOBHXTJSA-N +HMDB0051967 966.861541391 TG(24:1(15Z)/18:0/18:3(6Z,9Z,12Z)) C63H114O6 NNBFKLFMPMDQEJ-ZUPCQKIOSA-N +HMDB0051974 966.861541391 TG(24:1(15Z)/18:0/18:3(9Z,12Z,15Z)) C63H114O6 OKMPYBUPDFDIHC-LDOFVRLXSA-N +HMDB0051975 964.845891326 TG(24:1(15Z)/18:0/18:4(6Z,9Z,12Z,15Z)) C63H112O6 MWLKTPCHSMXLLY-KYXQNJKZSA-N +HMDB0051980 958.929227028 TG(24:1(15Z)/18:0/o-18:0) C63H122O5 MJAVAMAWXATTJN-NYRYLARASA-N +HMDB0052032 938.830241262 TG(24:1(15Z)/14:1(9Z)/20:2n6) C61H110O6 PWBWZFOUPAVKBH-NSRVMUEISA-N +HMDB0052035 966.861541391 TG(24:1(15Z)/14:1(9Z)/22:2(13Z,16Z)) C63H114O6 HUFAUCRKBKDFDP-WFSYSZDYSA-N +HMDB0052036 962.830241262 TG(24:1(15Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C63H110O6 LIBQPQCZEFGZPS-LTNPSJMOSA-N +HMDB0052043 958.798941133 TG(24:1(15Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H106O6 QIPKPBOQLFJNQW-JYDVVZDMSA-N +HMDB0052044 900.850976706 TG(24:1(15Z)/14:1(9Z)/o-18:0) C59H112O5 XPDLXJYQTJBVLY-LRLRNOKKSA-N +HMDB0052046 938.830241262 TG(24:1(15Z)/16:1(9Z)/18:2(9Z,12Z)) C61H110O6 DWQHZFVQEBNFQY-XRXULKSWSA-N +HMDB0052048 966.861541391 TG(24:1(15Z)/16:1(9Z)/20:2n6) C63H114O6 SBNMRUIGCHPGON-RKIBRSHDSA-N +HMDB0052049 964.845891326 TG(24:1(15Z)/16:1(9Z)/20:3n6) C63H112O6 ZAMSJHWTYQXQPY-JZDSNLEASA-N +HMDB0052050 962.830241262 TG(24:1(15Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C63H110O6 PQVAMULAOIDXID-FNEXOFSJSA-N +HMDB0052056 962.830241262 TG(24:1(15Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C63H110O6 PJDOXWVMHBYGBX-VBYALZHZSA-N +HMDB0052060 928.882276835 TG(24:1(15Z)/16:1(9Z)/o-18:0) C61H116O5 JQKSTWZRLSFFJF-JLSFSZCSSA-N +HMDB0052062 966.861541391 TG(24:1(15Z)/18:1(11Z)/18:2(9Z,12Z)) C63H114O6 OQDCWOUJNQSYMR-DPJMPHFLSA-N +HMDB0052063 964.845891326 TG(24:1(15Z)/18:1(11Z)/18:3(6Z,9Z,12Z)) C63H112O6 FQOOBZWSSFBGRJ-PUXYSJNBSA-N +HMDB0052070 964.845891326 TG(24:1(15Z)/18:1(11Z)/18:3(9Z,12Z,15Z)) C63H112O6 RUSCMJMSQIOWQE-JVPAGSFPSA-N +HMDB0052071 962.830241262 TG(24:1(15Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C63H110O6 WPTDLSWTVUJAOX-YHDAGPPLSA-N +HMDB0052076 956.913576964 TG(24:1(15Z)/18:1(11Z)/o-18:0) C63H120O5 MVFBCZDAWPPNMN-CNKHIDIQSA-N +HMDB0052078 966.861541391 TG(24:1(15Z)/18:1(9Z)/18:2(9Z,12Z)) C63H114O6 NFYLWGALGFJXKV-VUCGYDTISA-N +HMDB0052079 964.845891326 TG(24:1(15Z)/18:1(9Z)/18:3(6Z,9Z,12Z)) C63H112O6 WKTQVQIRLRPGDR-AIYLCWKHSA-N +HMDB0052086 964.845891326 TG(24:1(15Z)/18:1(9Z)/18:3(9Z,12Z,15Z)) C63H112O6 CGQLVCFUDCESMV-ONVKFWOQSA-N +HMDB0052087 962.830241262 TG(24:1(15Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C63H110O6 XPNUDVKOGAAXPS-IASDWQFSSA-N +HMDB0052092 956.913576964 TG(24:1(15Z)/18:1(9Z)/o-18:0) C63H120O5 RVMQNMKFUZZTPY-FFSMKODBSA-N +HMDB0052158 964.845891326 TG(24:1(15Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C63H112O6 LEISCWOXEYMOAG-YAZYAHKFSA-N +HMDB0052159 962.830241262 TG(24:1(15Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) C63H110O6 DVVXILVDNWEYLR-ORGOULGJSA-N +HMDB0052166 962.830241262 TG(24:1(15Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) C63H110O6 HMLHWNHLFKBMRY-ZGCCQQRHSA-N +HMDB0052172 954.8979269 TG(24:1(15Z)/18:2(9Z,12Z)/o-18:0) C63H118O5 GCHDZYLUKSEHHL-NEPMHRMMSA-N +HMDB0052174 962.830241262 TG(24:1(15Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) C63H110O6 APLABQCESRGFRN-LQUJYBKRSA-N +HMDB0052183 958.798941133 TG(24:1(15Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) C63H106O6 WVWWFHQLYDZJNM-VGIPEQTASA-N +HMDB0052188 952.882276835 TG(24:1(15Z)/18:3(6Z,9Z,12Z)/o-18:0) C63H116O5 FIXNXVIJNBXNSK-BXCHJCNZSA-N +HMDB0052286 962.830241262 TG(24:1(15Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) C63H110O6 NAYLGIBYZIJGJI-DBZHIINUSA-N +HMDB0052295 958.798941133 TG(24:1(15Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) C63H106O6 XMEDZNCDBPSROA-MJBKJXDCSA-N +HMDB0052300 952.882276835 TG(24:1(15Z)/18:3(9Z,12Z,15Z)/o-18:0) C63H116O5 UQQUTEPSRVSYRH-BVNIRHBSSA-N +HMDB0052303 958.798941133 TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) C63H106O6 SBHVXVGIUJBNSJ-CCERIMPBSA-N +HMDB0052310 958.798941133 TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) C63H106O6 DIQHRWHXSVXJHW-QJWAGHRUSA-N +HMDB0052311 956.783291069 TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) C63H104O6 HGDIZRAUCJKNGD-LGQABYQNSA-N +HMDB0052316 950.866626771 TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0) C63H114O5 STBHWPRLUZOAIJ-ZWQRGCETSA-N +HMDB0052382 954.8979269 TG(24:1(15Z)/o-18:0/18:2(9Z,12Z)) C63H118O5 FMMAGCQSTTUUOF-NEPMHRMMSA-N +HMDB0052383 952.882276835 TG(24:1(15Z)/o-18:0/18:3(6Z,9Z,12Z)) C63H116O5 TVASWGWPZXLFFR-LBUQORGQSA-N +HMDB0052390 952.882276835 TG(24:1(15Z)/o-18:0/18:3(9Z,12Z,15Z)) C63H116O5 MGIADBDESXZBTF-BVNIRHBSSA-N +HMDB0052391 950.866626771 TG(24:1(15Z)/o-18:0/18:4(6Z,9Z,12Z,15Z)) C63H114O5 HMRLAHOLCLZNNW-OIVAJGPLSA-N +HMDB0052399 852.720690811 TG(18:2(9Z,12Z)/14:0/20:3n6) C55H96O6 LPABDPJNNDGDTQ-BLIQHNSJSA-N +HMDB0052401 882.767641004 TG(18:2(9Z,12Z)/14:0/22:2(13Z,16Z)) C57H102O6 LDVDALBKRWDBPL-WTNQUSKBSA-N +HMDB0052416 896.783291069 TG(18:2(9Z,12Z)/15:0/22:2(13Z,16Z)) C58H104O6 YJZARZPHBIAWSP-WFWVJCKJSA-N +HMDB0052427 852.720690811 TG(18:2(9Z,12Z)/16:0/18:3(6Z,9Z,12Z)) C55H96O6 GIPISOXQGTUPKE-ZWNRZCITSA-N +HMDB0052428 882.767641004 TG(18:2(9Z,12Z)/16:0/20:2n6) C57H102O6 HYPYKVIIWHXPAS-BIBJHKLQSA-N +HMDB0052429 880.75199094 TG(18:2(9Z,12Z)/16:0/20:3n6) C57H100O6 FPBJHRGEWAYSDO-NWQIFYSBSA-N +HMDB0052441 882.767641004 TG(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)) C57H102O6 FGNXNKQAEKNDNA-XEUHHCTMSA-N +HMDB0052442 880.75199094 TG(18:2(9Z,12Z)/18:0/18:3(6Z,9Z,12Z)) C57H100O6 RRQQICLGULVDHJ-TUEOCVOPSA-N +HMDB0052446 938.830241262 TG(18:2(9Z,12Z)/18:0/22:2(13Z,16Z)) C61H110O6 RLGAQDGPQYEBLL-XHVXYWQYSA-N +HMDB0052458 938.830241262 TG(18:2(9Z,12Z)/20:0/20:2n6) C61H110O6 CYKZBIMIYCZCIP-MRTMRHDRSA-N +HMDB0052461 966.861541391 TG(18:2(9Z,12Z)/20:0/22:2(13Z,16Z)) C63H114O6 WUPOLOVISVVRIA-JBYCBOJFSA-N +HMDB0052462 962.830241262 TG(18:2(9Z,12Z)/20:0/22:4(7Z,10Z,13Z,16Z)) C63H110O6 HKRSQYQLQNSHTO-XBEKDICWSA-N +HMDB0052469 958.798941133 TG(18:2(9Z,12Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H106O6 SRVIIJLKVZLBAK-OAQBWKPISA-N +HMDB0052470 900.850976706 TG(18:2(9Z,12Z)/20:0/o-18:0) C59H112O5 XYFSTETYCVWOEN-KLWJSLDDSA-N +HMDB0052471 938.830241262 TG(18:2(9Z,12Z)/22:0/18:2(9Z,12Z)) C61H110O6 CVWPTSPATKBGFJ-FCWOHNRGSA-N +HMDB0052473 966.861541391 TG(18:2(9Z,12Z)/22:0/20:2n6) C63H114O6 ADPNGIWOVLEKOB-PCWKMLBBSA-N +HMDB0052474 964.845891326 TG(18:2(9Z,12Z)/22:0/20:3n6) C63H112O6 INDPJVIDKWBQSJ-BCVUUJCASA-N +HMDB0052475 962.830241262 TG(18:2(9Z,12Z)/22:0/20:4(5Z,8Z,11Z,14Z)) C63H110O6 CBQQNGMIEQUSNE-CBOGNYGUSA-N +HMDB0052481 962.830241262 TG(18:2(9Z,12Z)/22:0/20:4(8Z,11Z,14Z,17Z)) C63H110O6 UOQDSEPRWVVBKV-FWKCDYCVSA-N +HMDB0052485 928.882276835 TG(18:2(9Z,12Z)/22:0/o-18:0) C61H116O5 PZMSAQJXASOAPE-FMZYJFPSSA-N +HMDB0052486 966.861541391 TG(18:2(9Z,12Z)/24:0/18:2(9Z,12Z)) C63H114O6 WDLBTJHWGYBSCW-ZQQHQYNCSA-N +HMDB0052487 964.845891326 TG(18:2(9Z,12Z)/24:0/18:3(6Z,9Z,12Z)) C63H112O6 DYXIHLFAMCSWDP-KSAGRNAESA-N +HMDB0052494 964.845891326 TG(18:2(9Z,12Z)/24:0/18:3(9Z,12Z,15Z)) C63H112O6 PULVRMWMRNJUAS-SOTXLCDASA-N +HMDB0052495 962.830241262 TG(18:2(9Z,12Z)/24:0/18:4(6Z,9Z,12Z,15Z)) C63H110O6 IMMYAYNDFJZVBZ-FKZIQONFSA-N +HMDB0052500 956.913576964 TG(18:2(9Z,12Z)/24:0/o-18:0) C63H120O5 HQJZLKIOUYEPDB-RVEZQVEJSA-N +HMDB0052503 852.720690811 TG(18:2(9Z,12Z)/14:1(9Z)/20:2n6) C55H96O6 JKLVWHFEADJCSE-OKEXGHLUSA-N +HMDB0052506 880.75199094 TG(18:2(9Z,12Z)/14:1(9Z)/22:2(13Z,16Z)) C57H100O6 SFCNWLSIOSCRMM-DBWLQLOESA-N +HMDB0052516 852.720690811 TG(18:2(9Z,12Z)/16:1(9Z)/18:2(9Z,12Z)) C55H96O6 SFSFPCWGADNGHN-BDMHOKOOSA-N +HMDB0052518 880.75199094 TG(18:2(9Z,12Z)/16:1(9Z)/20:2n6) C57H100O6 GBKMWLHIRAKLID-VHWXVXHCSA-N +HMDB0052529 900.720690811 TG(18:2(9Z,12Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C59H96O6 MKTVKWIGWXIEHG-YJGXQOQOSA-N +HMDB0052530 842.772726384 TG(18:2(9Z,12Z)/16:1(9Z)/o-18:0) C55H102O5 HXJRHBUXUMSJKX-PLBCZWSDSA-N +HMDB0052538 930.767641004 TG(18:2(9Z,12Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C61H102O6 ZSEBUOJAFUHWIN-JKYCPEQBSA-N +HMDB0052543 930.767641004 TG(18:2(9Z,12Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C61H102O6 JAGNAZGVBMHJJJ-UYTKXDLDSA-N +HMDB0052544 928.75199094 TG(18:2(9Z,12Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H100O6 NRDVYSIZCMNJBW-FXYUBBNPSA-N +HMDB0052545 870.804026513 TG(18:2(9Z,12Z)/18:1(11Z)/o-18:0) C57H106O5 YLZZIBPODWNHEY-QIJLKOGJSA-N +HMDB0052546 880.75199094 TG(18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z)) C57H100O6 UDQCIYKUZOQISE-GGDOOUPISA-N +HMDB0052553 930.767641004 TG(18:2(9Z,12Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C61H102O6 YKKNGUMBQWFKKB-FPFGDPITSA-N +HMDB0052560 870.804026513 TG(18:2(9Z,12Z)/18:1(9Z)/o-18:0) C57H106O5 POAFQIOHYATMRL-IJDLEHCASA-N +HMDB0052566 964.845891326 TG(18:2(9Z,12Z)/20:1(11Z)/22:2(13Z,16Z)) C63H112O6 UFTFKKKNMJLXFT-DIROXVHGSA-N +HMDB0052568 958.798941133 TG(18:2(9Z,12Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H106O6 FZVSVPNSNPCVJK-SVPKEUKBSA-N +HMDB0052573 958.798941133 TG(18:2(9Z,12Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H106O6 TZEDWJDIOLCDJN-RBJHLLPSSA-N +HMDB0052574 956.783291069 TG(18:2(9Z,12Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H104O6 AHTTULMKWLTZHP-BMDPEGLOSA-N +HMDB0052582 956.783291069 TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)) C63H104O6 GATBTSFSXXAQAW-OEUXJVTFSA-N +HMDB0052583 954.767641004 TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H102O6 UGHFVGFGLYJRIY-HUOAFJCPSA-N +HMDB0052585 900.720690811 TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)) C59H96O6 DQYDIASSVQDEIU-BRGPTBNDSA-N +HMDB0052588 954.767641004 TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 HNDHOYSSWMWISN-HWBKHRQFSA-N +HMDB0052589 952.75199094 TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 RFXAXHWRVMQUCI-CLXZRIJWSA-N +HMDB0052593 964.845891326 TG(18:2(9Z,12Z)/22:1(13Z)/20:2n6) C63H112O6 ASHDSIZMSUYRGL-VVAYQMRPSA-N +HMDB0052594 962.830241262 TG(18:2(9Z,12Z)/22:1(13Z)/20:3n6) C63H110O6 JWUGOBDQRTWQDM-LOFJDGKISA-N +HMDB0052602 958.798941133 TG(18:2(9Z,12Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 QNNMKCWGRUYNED-MSOVQMLESA-N +HMDB0052605 926.866626771 TG(18:2(9Z,12Z)/22:1(13Z)/o-18:0) C61H114O5 IRNARDRWANMWOS-KMJYMJAJSA-N +HMDB0052606 964.845891326 TG(18:2(9Z,12Z)/24:1(15Z)/18:2(9Z,12Z)) C63H112O6 POKWAFRJAZNFSU-NWOKJHHTSA-N +HMDB0052607 962.830241262 TG(18:2(9Z,12Z)/24:1(15Z)/18:3(6Z,9Z,12Z)) C63H110O6 GUXKXSATTNLTNC-ORGOULGJSA-N +HMDB0052614 962.830241262 TG(18:2(9Z,12Z)/24:1(15Z)/18:3(9Z,12Z,15Z)) C63H110O6 YLZNOVLTDCHRND-ZGCCQQRHSA-N +HMDB0052620 954.8979269 TG(18:2(9Z,12Z)/24:1(15Z)/o-18:0) C63H118O5 JECSEZDUELWFJD-NEPMHRMMSA-N +HMDB0052635 868.788376449 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/o-18:0) C57H104O5 MUYSBOYFSLCKQE-NYFSQYCDSA-N +HMDB0052640 900.720690811 TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) C59H96O6 HNCZROXFYKAXOH-YSGVHZNESA-N 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TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) C59H96O6 LDKWKDUYZWZDBQ-JCVCCHMVSA-N +HMDB0052691 926.736340876 TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) C61H98O6 MHQQXKMTIMDITH-BRJPCWTOSA-N +HMDB0052692 924.720690811 TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C61H96O6 VZMDAERKCFBEMZ-ILVFMXOCSA-N +HMDB0052693 952.75199094 TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H100O6 CJMQGODMMNFMOQ-ORXARHRGSA-N +HMDB0052698 962.830241262 TG(18:2(9Z,12Z)/22:2(13Z,16Z)/20:2n6) C63H110O6 ZNOAWGZVSGWABO-UDMNNMADSA-N +HMDB0052700 958.798941133 TG(18:2(9Z,12Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C63H106O6 GQFRMDOUNSKSDC-IULOVJQKSA-N +HMDB0052706 958.798941133 TG(18:2(9Z,12Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C63H106O6 JBDJDXZTHMTVDR-ZTFOUFTDSA-N +HMDB0052707 956.783291069 TG(18:2(9Z,12Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 CDFSSVIAZNGTBZ-WJCALSCWSA-N +HMDB0052710 924.850976706 TG(18:2(9Z,12Z)/22:2(13Z,16Z)/o-18:0) C61H112O5 NFFVNPZNLYTNDK-IFRPMBHZSA-N +HMDB0052713 958.798941133 TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6) C63H106O6 DXAZBFYXLZYUIG-JFMYEQNVSA-N +HMDB0052714 956.783291069 TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6) C63H104O6 HXTSHFBTAPQXOE-HNEIMKDNSA-N +HMDB0052715 954.767641004 TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C63H102O6 JWYJCPQICGZVHS-VUMBVEJGSA-N +HMDB0052718 980.783291069 TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H104O6 HFGHKKLRXFEOCY-HLCHVEAISA-N +HMDB0052721 954.767641004 TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C63H102O6 VQRIXOHBVKMVEL-RIGGWWEUSA-N +HMDB0052722 952.75199094 TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 BLKBAXUTLWGPPO-ZAKINQADSA-N +HMDB0052723 980.783291069 TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 AAAULIDICJVAGC-XUJQSNPTSA-N +HMDB0052724 978.767641004 TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 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TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H100O6 MQHMZCFDXHXJOZ-WERPUXBJSA-N +HMDB0052786 900.720690811 TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)) C59H96O6 BVJKPJCDKQJPAW-HAQGPPORSA-N +HMDB0052790 924.720690811 TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) C61H96O6 PVHFYEKHFWFLFZ-GNAZAWJWSA-N +HMDB0052791 956.783291069 TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)) C63H104O6 QRAYXPKVQDNMMF-RXFZUINTSA-N +HMDB0052792 952.75199094 TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C63H100O6 BTFFOSYFKZTDHX-MEJXPWIASA-N +HMDB0052796 924.720690811 TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C61H96O6 ZPCPPBVETIYFQL-BMHOWKSZSA-N +HMDB0052803 956.783291069 TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6) C63H104O6 NVCFQTAXRDDMLZ-VNEAKRBHSA-N +HMDB0052804 954.767641004 TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6) C63H102O6 OXKWYVLMELYMCF-ZXXOVAKXSA-N +HMDB0052805 952.75199094 TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C63H100O6 VCJKYSQWTHINNE-HOHFJALFSA-N +HMDB0052807 980.783291069 TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C65H104O6 OGIYWYULRPCZFI-YJCODJOESA-N +HMDB0052808 978.767641004 TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H102O6 ZZAFJHQNDZMPDX-SDIKKOSVSA-N +HMDB0052810 924.720690811 TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C61H96O6 VQFIBNGFXJMOBY-MOJBHEKUSA-N +HMDB0052811 952.75199094 TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C63H100O6 FXGQECBIROXLSB-NCBCFCTQSA-N +HMDB0052813 978.767641004 TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H102O6 DHGPOFOBMYEFSV-ZCMPECEDSA-N +HMDB0052814 976.75199094 TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H100O6 GCDGRCYQBMTTFW-NBKLWWFXSA-N +HMDB0052817 924.720690811 TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) C61H96O6 SPIMEOJTVCAROF-NMQLLDOMSA-N +HMDB0052818 954.767641004 TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6) C63H102O6 BSMCSPHFOOHCPJ-RUVWZCFUSA-N +HMDB0052819 952.75199094 TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6) C63H100O6 GYRBUPBXSBUDIS-ZWPGWIBOSA-N +HMDB0052822 978.767641004 TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C65H102O6 OMPXEBMHVBYGHO-SNKIBGNKSA-N +HMDB0052823 976.75199094 TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H100O6 VSVPMUHPOFOMTE-WYRXULJNSA-N +HMDB0052824 924.720690811 TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C61H96O6 ZWAGVJRENVHFMW-MEGUQTQMSA-N +HMDB0052828 976.75199094 TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H100O6 RBFFADLAIHOKCA-MWWLGLJDSA-N +HMDB0052829 974.736340876 TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H98O6 NVRVRYSEUZDNFH-TZSIVWBQSA-N +HMDB0052831 868.788376449 TG(18:2(9Z,12Z)/o-18:0/18:2(9Z,12Z)) C57H104O5 GBRPETNWPCBFTJ-FTHRAJORSA-N +HMDB0052832 866.772726384 TG(18:2(9Z,12Z)/o-18:0/18:3(6Z,9Z,12Z)) C57H102O5 PARQILSYFLMAIN-YIXXUQDESA-N +HMDB0052836 924.850976706 TG(18:2(9Z,12Z)/o-18:0/22:2(13Z,16Z)) C61H112O5 SCCCMTCYXQXNLK-KFPLGILTSA-N +HMDB0052839 866.772726384 TG(18:2(9Z,12Z)/o-18:0/18:3(9Z,12Z,15Z)) C57H102O5 ODALSWIZSGWUHZ-MOXJRXQISA-N +HMDB0052846 852.720690811 TG(18:3(6Z,9Z,12Z)/14:0/20:2n6) C55H96O6 FWLOAHZIIPEDQA-QLLQDTBKSA-N +HMDB0052849 880.75199094 TG(18:3(6Z,9Z,12Z)/14:0/22:2(13Z,16Z)) C57H100O6 OLENDCDRWPUUBG-WXOMCRGRSA-N +HMDB0052872 828.75707632 TG(18:3(6Z,9Z,12Z)/15:0/o-18:0) C54H100O5 JULFTYLLKSHNRK-SJKHGKAXSA-N +HMDB0052874 880.75199094 TG(18:3(6Z,9Z,12Z)/16:0/20:2n6) C57H100O6 ZRVFQAMIIKQWFU-WEGPGILOSA-N +HMDB0052885 900.720690811 TG(18:3(6Z,9Z,12Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C59H96O6 PZDNZVIDHUTVSG-UJUQEBHQSA-N +HMDB0052886 842.772726384 TG(18:3(6Z,9Z,12Z)/16:0/o-18:0) C55H102O5 ZGXRJWDPYLJJFG-NSZKPIBJSA-N +HMDB0052900 870.804026513 TG(18:3(6Z,9Z,12Z)/18:0/o-18:0) C57H106O5 XYIQAWXUEATHMZ-LRZOXXFJSA-N +HMDB0052905 964.845891316 TG(18:3(6Z,9Z,12Z)/20:0/22:2(13Z,16Z)) C63H112O6 PTMJQDBEENYEHE-LLHZFHSZSA-N +HMDB0052907 958.798941133 TG(18:3(6Z,9Z,12Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H106O6 MLHPCHDXLJOHRM-FVJNKRAASA-N +HMDB0052912 958.798941133 TG(18:3(6Z,9Z,12Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H106O6 JJABVFOQBZMQSC-IATUMYPOSA-N +HMDB0052913 956.783291069 TG(18:3(6Z,9Z,12Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H104O6 BTYYWBNWBIXRST-VZPOCRQRSA-N +HMDB0052916 964.845891326 TG(18:3(6Z,9Z,12Z)/22:0/20:2n6) C63H112O6 UEFBXDIEVPQCTF-ZCFQMQTQSA-N +HMDB0052917 962.830241262 TG(18:3(6Z,9Z,12Z)/22:0/20:3n6) C63H110O6 TWIVSQOXNBXDFW-IHGNOWGRSA-N +HMDB0052925 958.798941133 TG(18:3(6Z,9Z,12Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 OAHFSXGNMDGFOX-MDECKRBDSA-N +HMDB0052928 926.866626771 TG(18:3(6Z,9Z,12Z)/22:0/o-18:0) C61H114O5 DNBFQFXWSKRTGJ-GCPRVGKFSA-N +HMDB0052929 962.830241252 TG(18:3(6Z,9Z,12Z)/24:0/18:3(6Z,9Z,12Z)) 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900.720690811 TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)) C59H96O6 RLKSWIHVEAZROT-UKMMVNDDSA-N +HMDB0053023 924.720690811 TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C61H96O6 GYDULBZIXNRXAK-DNPOQNCRSA-N +HMDB0053024 952.75199094 TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H100O6 UKQWMQSUSAJIDZ-NUYOESLSSA-N +HMDB0053028 962.830241262 TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:2n6) C63H110O6 ZZNQEKZITOQVEU-LQDOWNFGSA-N +HMDB0053030 958.798941133 TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z)) C63H106O6 DGYTXSNHLHPLMV-XTGFSRPPSA-N +HMDB0053036 958.798941133 TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z)) C63H106O6 UYULDZRZDPVLFT-UJRXTZSCSA-N +HMDB0053037 956.783291069 TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 QSKROXVIZWMLAM-OLQNRDGLSA-N +HMDB0053040 924.850976706 TG(18:3(6Z,9Z,12Z)/22:1(13Z)/o-18:0) C61H112O5 NVZVXKRDHFHVPS-WEGMRAKCSA-N +HMDB0053049 958.798941133 TG(18:3(6Z,9Z,12Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z)) C63H106O6 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TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C63H104O6 HMWYLDUUJNYCNU-DBOVVZDGSA-N +HMDB0053134 956.783291069 TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C63H104O6 PEHCCWRKDIRZAZ-WQQLIXGESA-N +HMDB0053135 954.767641004 TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 WEPFYTKJXBZPDF-BUVUXQNLSA-N +HMDB0053137 980.783291069 TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 KUBPNGBHPOVPIW-CFMITWRZSA-N +HMDB0053140 956.783291069 TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6) C63H104O6 WHRYWMDHNOKZCV-UTNPTQIQSA-N +HMDB0053141 954.767641004 TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6) C63H102O6 MSTWHTFNNCRHIU-QRBIFZPPSA-N +HMDB0053142 952.75199094 TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C63H100O6 ZJMZBFZENLUIAF-LHHYVMADSA-N +HMDB0053144 980.783291069 TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) C65H104O6 RXECQHPSJFVNPL-DXYHNUSHSA-N +HMDB0053145 978.767641004 TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H102O6 PLAOSKWDTZUAOS-SFXPLPMRSA-N +HMDB0053147 924.720690811 TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C61H96O6 ICVAHKOZRSLUFQ-KINDLXIOSA-N +HMDB0053148 952.75199094 TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C63H100O6 RRXSURPJVARICW-KLOKDZRKSA-N +HMDB0053150 978.767641004 TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H102O6 GLNXLYRBLGFBLW-HYAWBGIDSA-N +HMDB0053151 976.75199094 TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H100O6 JYUPBLUIDGVNML-LEANLVNISA-N +HMDB0053153 924.720690804 TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) C61H96O6 QADBLNHWOKOYDH-DUAURTHGSA-N +HMDB0053154 954.767641004 TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6) C63H102O6 HWIXODUOTVEHET-CNAMJHDQSA-N +HMDB0053155 952.75199094 TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6) C63H100O6 WLKYPPYVGVLSFZ-DZEINTEQSA-N +HMDB0053158 978.767641004 TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) C65H102O6 DOCRXAVOQFBILA-LTOUURHRSA-N +HMDB0053159 976.75199094 TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H100O6 SSHNUYNODGSBKZ-CPELRYCASA-N +HMDB0053160 924.720690811 TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C61H96O6 SETAFKXUOLRYMX-ZWIGYPITSA-N +HMDB0053164 976.75199094 TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H100O6 LZINVXSWUNMSJK-WMBLJDNQSA-N +HMDB0053165 974.736340876 TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H98O6 ZINMHJGMXNZUON-ASXZPPHZSA-N +HMDB0053169 900.720690811 TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:3n6) C59H96O6 GHZUZGDZYLIXSI-ZLTIJRARSA-N +HMDB0053173 924.720690811 TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C61H96O6 MJTWPTSBGBSEIL-AQZTZEFFSA-N +HMDB0053178 924.720690811 TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C61H96O6 GBTJDANNDZMCSO-TVEHCWGWSA-N +HMDB0053182 900.720690811 TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6) C59H96O6 USAUVXGGZAHQNY-KQCHPSEHSA-N +HMDB0053186 924.720690811 TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) C61H96O6 KTBQPCJSPGEYHH-IYYZHSNDSA-N +HMDB0053198 924.720690811 TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) C61H96O6 LEMUUXQSONCZBR-GKPKBBGDSA-N +HMDB0053199 956.783291069 TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z)) C63H104O6 IWQXPFWRVPSQSD-GUWIYQCRSA-N +HMDB0053200 952.75199094 TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C63H100O6 VMOOWSPQGJCOEF-ZVTUCBFNSA-N +HMDB0053204 924.720690811 TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C61H96O6 AODBNMOGHKMQLM-QEBGWZISSA-N +HMDB0053211 924.720690811 TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6) C61H96O6 VQSBVFWLIMSUKU-JLYXARIGSA-N +HMDB0053213 954.767641004 TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)) C63H102O6 FIVPYAHJKISIKY-NBMRXVETSA-N +HMDB0053223 924.720690804 TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) C61H96O6 NPPQAYOZPNHUTJ-XOXGTWQISA-N +HMDB0053224 954.767641004 TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6) C63H102O6 LVLWZYJYVIWLMX-IPDHCDBBSA-N +HMDB0053225 952.75199094 TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6) C63H100O6 WZTSWHVGWRWKRF-SYITYHMWSA-N +HMDB0053228 978.767641004 TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C65H102O6 BQWOVZWVJFRMTK-OYWVQLBISA-N +HMDB0053229 976.75199094 TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H100O6 LZBCYJATWXCMHP-ARPSOUMQSA-N +HMDB0053230 924.720690811 TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C61H96O6 NVECGMYENDMAPE-BDMCNHIFSA-N +HMDB0053234 976.75199094 TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H100O6 IRNKBTPNXMDLBH-PVBFGPDHSA-N +HMDB0053235 974.736340876 TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H98O6 KHTDSTVVANVHFF-MZXLEEBUSA-N 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FTPNNFMDJNYTOR-YBQWMRSQSA-N +HMDB0053293 938.830241262 TG(20:2n6/16:0/22:2(13Z,16Z)) C61H110O6 HZEWLUFXEAGEHA-FASPCYNWSA-N +HMDB0053296 880.75199094 TG(20:2n6/16:0/18:3(9Z,12Z,15Z)) C57H100O6 WCWOBBHQCJULDM-CYNWPRIGSA-N +HMDB0053303 938.830241262 TG(20:2n6/18:0/20:2n6) C61H110O6 ZEKYFQBFJWUBSX-XEUHHCTMSA-N +HMDB0053306 966.861541391 TG(20:2n6/18:0/22:2(13Z,16Z)) C63H114O6 GPDKESGJHAJPPZ-OGRIISAJSA-N +HMDB0053307 962.830241262 TG(20:2n6/18:0/22:4(7Z,10Z,13Z,16Z)) C63H110O6 LEDZXTFKKPRATN-CWBHPBIOSA-N +HMDB0053314 958.798941133 TG(20:2n6/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H106O6 PHFDIFRFKJJMBV-AMQQJGMESA-N +HMDB0053315 900.850976706 TG(20:2n6/18:0/o-18:0) C59H112O5 YLJRMSSFHWLPIF-GKMOKLMGSA-N +HMDB0053316 966.861541391 TG(20:2n6/20:0/20:2n6) C63H114O6 APGLXYXZBPDMPJ-XEUHHCTMSA-N +HMDB0053317 964.845891326 TG(20:2n6/20:0/20:3n6) C63H112O6 CDUVBPWCCZLKBZ-ONWMJXMESA-N +HMDB0053318 962.830241262 TG(20:2n6/20:0/20:4(5Z,8Z,11Z,14Z)) C63H110O6 NIEMKAQPFODPCE-JXCDAGGDSA-N +HMDB0053324 962.830241262 TG(20:2n6/20:0/20:4(8Z,11Z,14Z,17Z)) C63H110O6 AAARRLVSWMMLIL-JFDCHTIYSA-N +HMDB0053328 928.882276835 TG(20:2n6/20:0/o-18:0) C61H116O5 REPZHTARFKJLGK-UWVPRLFQSA-N +HMDB0053335 964.845891326 TG(20:2n6/22:0/18:3(9Z,12Z,15Z)) C63H112O6 JQHWRRJYPOHAKD-QZHYZABFSA-N +HMDB0053336 962.830241262 TG(20:2n6/22:0/18:4(6Z,9Z,12Z,15Z)) C63H110O6 XOYMYYRTVUGSGP-GRCDQXJASA-N +HMDB0053341 956.913576964 TG(20:2n6/22:0/o-18:0) C63H120O5 DZWPMQPSPOGAGG-YAGAPKITSA-N +HMDB0053355 880.75199094 TG(20:2n6/14:1(9Z)/20:2n6) C57H100O6 JOUMXYIISHXANV-RWBIAYFFSA-N +HMDB0053366 900.720690811 TG(20:2n6/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C59H96O6 QZUZXWSQFLLIBE-XWMCOJDTSA-N +HMDB0053367 842.772726384 TG(20:2n6/14:1(9Z)/o-18:0) C55H102O5 RJJPSRSFWRKXGV-GTWSWVPXSA-N +HMDB0053380 870.804026513 TG(20:2n6/16:1(9Z)/o-18:0) C57H106O5 IYSQDSJAZVXCDU-HPLDLCQESA-N +HMDB0053384 964.845891326 TG(20:2n6/18:1(11Z)/22:2(13Z,16Z)) C63H112O6 NOLCSFQLXSPJBG-DOYZNESKSA-N +HMDB0053386 958.798941133 TG(20:2n6/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H106O6 ULRJOCSDJZFMFY-ZJWVVZHGSA-N +HMDB0053391 958.798941133 TG(20:2n6/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H106O6 RWRADNFFPOHHEA-UNEUZNPLSA-N +HMDB0053392 956.783291069 TG(20:2n6/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H104O6 YOEYZADNHRXJJT-WBBOMUOZSA-N +HMDB0053397 964.845891326 TG(20:2n6/18:1(9Z)/22:2(13Z,16Z)) C63H112O6 PRNZTHLFVCDZAV-SFKXYMDKSA-N +HMDB0053399 958.798941133 TG(20:2n6/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H106O6 LZZJAKQUDMTSMD-VRHRGAFOSA-N +HMDB0053404 958.798941133 TG(20:2n6/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H106O6 QKUJSLKNYNFMCG-WAOWULNYSA-N +HMDB0053405 956.783291069 TG(20:2n6/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H104O6 GAWBNAJJRJBPMU-WSUSZCAPSA-N +HMDB0053407 964.845891326 TG(20:2n6/20:1(11Z)/20:2n6) C63H112O6 VLYQASCCDNGEQJ-GGDOOUPISA-N +HMDB0053408 962.830241262 TG(20:2n6/20:1(11Z)/20:3n6) C63H110O6 BODCPTKZTGBALI-NBJGVIAESA-N +HMDB0053416 958.798941133 TG(20:2n6/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 QJLUNEFXQRDKLC-MQNBCSLYSA-N +HMDB0053419 926.866626771 TG(20:2n6/20:1(11Z)/o-18:0) C61H114O5 INURSZUTYWHVKL-IUJIAQQVSA-N +HMDB0053421 958.798941133 TG(20:2n6/20:3(5Z,8Z,11Z)/20:3n6) C63H106O6 LFYKWGODUKKZEK-PQJBSVHZSA-N +HMDB0053422 956.783291069 TG(20:2n6/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)) C63H104O6 SATBWAXPKBXLEF-NMJZXWEMSA-N +HMDB0053428 956.783291069 TG(20:2n6/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)) C63H104O6 SXLSGVHVTGSALG-IDWIRJJXSA-N +HMDB0053429 954.767641004 TG(20:2n6/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 PNNSMRQLANHRDX-XBLZGWIDSA-N +HMDB0053431 980.783291069 TG(20:2n6/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 LGZBYVCHRDGVGD-PDDMCSIKSA-N +HMDB0053439 962.830241262 TG(20:2n6/22:1(13Z)/18:3(9Z,12Z,15Z)) C63H110O6 XTPPLMSBGCFPTO-QLVRQTKUSA-N +HMDB0053445 954.8979269 TG(20:2n6/22:1(13Z)/o-18:0) C63H118O5 UWHCZBAFYYHHRB-XKFLIONZSA-N +HMDB0053462 962.830241262 TG(20:2n6/18:2(9Z,12Z)/22:2(13Z,16Z)) C63H110O6 HWOAMJMEVLUICF-UDMNNMADSA-N +HMDB0053463 958.798941133 TG(20:2n6/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C63H106O6 BLUODYRHIPCAQS-OACMGENOSA-N +HMDB0053464 956.783291069 TG(20:2n6/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H104O6 COZVSHKROVOQOP-STEKBIBLSA-N +HMDB0053469 956.783291069 TG(20:2n6/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 QTYYFJGKWKUBSQ-AHGFPKGFSA-N +HMDB0053470 954.767641004 TG(20:2n6/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 IIZFWHKVNJTNPQ-CQALYHPNSA-N +HMDB0053476 956.783291069 TG(20:2n6/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C63H104O6 MGEAOKJODZKTKX-ISICLPBDSA-N +HMDB0053477 954.767641004 TG(20:2n6/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H102O6 BSLYTXPSABCJNS-DBCIVTTOSA-N +HMDB0053479 900.720690811 TG(20:2n6/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) C59H96O6 PARVDVGUFPHHJQ-OHLXLZLUSA-N +HMDB0053482 954.767641004 TG(20:2n6/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 YKRAKIKUUNSETH-JOLCNQCDSA-N +HMDB0053483 952.75199094 TG(20:2n6/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 LLRMOUDUDWTCRD-YDLPISMNSA-N +HMDB0053485 962.830241262 TG(20:2n6/20:2n6/20:2n6) C63H110O6 LYUOZIPQCKXNPX-BBWANDEASA-N +HMDB0053487 958.798941133 TG(20:2n6/20:2n6/20:4(5Z,8Z,11Z,14Z)) C63H106O6 VIIWKEJLCOZGMH-FHOJAIQOSA-N +HMDB0053493 958.798941133 TG(20:2n6/20:2n6/20:4(8Z,11Z,14Z,17Z)) C63H106O6 NJJRJRJTWCCNNE-XITMTEFESA-N +HMDB0053494 956.783291069 TG(20:2n6/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 VLMFXQRKOXVLPZ-PXQUNIJTSA-N +HMDB0053497 924.850976706 TG(20:2n6/20:2n6/o-18:0) C61H112O5 PFTGNQCYADESFM-FVCLJNECSA-N +HMDB0053499 958.798941133 TG(20:2n6/20:3n6/20:3n6) C63H106O6 LKKZTOWNYBYTMN-JPHWEMSBSA-N +HMDB0053500 956.783291069 TG(20:2n6/20:3n6/20:4(5Z,8Z,11Z,14Z)) C63H104O6 PUCACZUVSXLWRS-CPGGZKEOSA-N +HMDB0053506 956.783291069 TG(20:2n6/20:3n6/20:4(8Z,11Z,14Z,17Z)) C63H104O6 MHNHYVCCWTUPKM-MWTXPWPNSA-N +HMDB0053507 954.767641004 TG(20:2n6/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 RYRQCSWRSANYFM-VRVPOFQWSA-N +HMDB0053509 980.783291069 TG(20:2n6/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 IYWYZXDESMKWHJ-HZILPADHSA-N +HMDB0053511 958.798941133 TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:2n6) C63H106O6 NBIMQFDILFVFBB-JEMAEXNRSA-N +HMDB0053512 956.783291069 TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:3n6) C63H104O6 MOTVJOAHEUKKRZ-YESYEGNTSA-N +HMDB0053513 954.767641004 TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C63H102O6 PICADWPLIJJOOG-NSHBGJPNSA-N +HMDB0053516 980.783291069 TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H104O6 ANLTWDYCKOTMFG-HVEBEDGHSA-N +HMDB0053519 954.767641004 TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) C63H102O6 PDOINEZJPOJSCI-ZMMQLPKBSA-N +HMDB0053520 952.75199094 TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 ONZPXYMTASPSNP-CETAVCOESA-N +HMDB0053521 980.783291069 TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 YKAWRFAUPATMGP-TYMUZGDTSA-N +HMDB0053522 978.767641004 TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 WJUAWPOIGFVUDB-JUAVMTKGSA-N +HMDB0053531 958.798941133 TG(20:2n6/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C63H106O6 GSLBJFYKPXLMFL-IKXOKERUSA-N +HMDB0053536 952.882276835 TG(20:2n6/22:2(13Z,16Z)/o-18:0) C63H116O5 GAGJUGUZOUXSIF-XUAJFUSCSA-N +HMDB0053543 956.783291069 TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C63H104O6 WFZKPKXMTUTJCU-IOYIGGFTSA-N +HMDB0053544 954.767641004 TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C63H102O6 HKWUREQRVPUWQW-OGEWLPAWSA-N +HMDB0053546 980.783291069 TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H104O6 JHULUDGYWIJGEI-JKMAUBRESA-N +HMDB0053549 948.850976706 TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/o-18:0) C63H112O5 JFCUMDGUAUVTSM-WPIOGYDOSA-N +HMDB0053552 980.783291069 TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C65H104O6 UHTSPOGAADMXJF-WPQFQGKGSA-N +HMDB0053556 954.767641004 TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C63H102O6 WJRHNBWETKCFPT-PROAMFOBSA-N +HMDB0053557 952.75199094 TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C63H100O6 HGVUWOFDDHGBHN-MHNCWGQHSA-N +HMDB0053558 980.783291069 TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C65H104O6 IIAFUSNBHNDBCQ-KRAOBSJVSA-N +HMDB0053559 978.767641004 TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H102O6 GZVGKSYTMGJZSJ-ADOPCIHKSA-N +HMDB0053567 956.783291069 TG(20:2n6/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) C63H104O6 WTQILBUQTSQKMT-NEZZOGGBSA-N +HMDB0053568 954.767641004 TG(20:2n6/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H102O6 MGEWHJIKKLGUTH-DHQUHFJFSA-N +HMDB0053570 900.720690811 TG(20:2n6/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) C59H96O6 DUPNCGTUAKCMPW-PASZNTQVSA-N +HMDB0053573 954.767641004 TG(20:2n6/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 GZIHTRQEPYSJHZ-YLRFTESRSA-N +HMDB0053574 952.75199094 TG(20:2n6/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 HFOUMPWZUOGOLE-WUBXHPFTSA-N +HMDB0053579 958.798941133 TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)) C63H106O6 WDFUGSQAEFPRPL-UMPBKPLSSA-N +HMDB0053580 954.767641004 TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) C63H102O6 AQXUMBSYJVJRPS-HRYWBSIUSA-N +HMDB0053581 952.75199094 TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H100O6 XQBXFBYULTYXBQ-RJJLYDRESA-N +HMDB0053582 900.720690811 TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) C59H96O6 BXWMIUIQFYBSNA-HVLDVOEXSA-N +HMDB0053585 924.720690811 TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C61H96O6 ADUPVYSRXHTHNB-JUZJPHBYSA-N +HMDB0053586 952.75199094 TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H100O6 BPRZFYNWCPHLBU-ZZKGGULLSA-N +HMDB0053589 958.798941133 TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/20:2n6) C63H106O6 LDWACUWXECAMNZ-XITXPYGISA-N +HMDB0053590 956.783291069 TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/20:3n6) C63H104O6 XBOGPRFREBREQV-YQZJHLEBSA-N +HMDB0053591 954.767641004 TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) C63H102O6 IIRSRGQBHXKFQZ-GNOBDRPCSA-N +HMDB0053594 980.783291069 TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H104O6 XEDWMKBQXWAUCP-JZYJTXSZSA-N +HMDB0053597 954.767641004 TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C63H102O6 DKSGCJPLSFCQNA-OOIUYSHRSA-N +HMDB0053598 952.75199094 TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 DQGFYDHZNGKRQX-ZZYVAGOISA-N +HMDB0053599 980.783291069 TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 DOKOWFJDKWKLFD-LCRMNJBDSA-N +HMDB0053600 978.767641004 TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 ZOBKWRBFUOHRSY-GQQYBDHPSA-N +HMDB0053602 956.783291069 TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6) C63H104O6 XCCCZEHGAYDWGO-CWFQFOAQSA-N +HMDB0053603 954.767641004 TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6) C63H102O6 XJKZLKNQUBHNFP-SZCNVQSISA-N +HMDB0053604 952.75199094 TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) C63H100O6 KWHSDMISQPUQKM-KACIZCAKSA-N +HMDB0053606 980.783291069 TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C65H104O6 CQNHRJUJTGXQQC-UAEDNCFNSA-N +HMDB0053607 978.767641004 TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H102O6 XEOSAHGABTVYIL-YDTCVEMJSA-N +HMDB0053609 924.720690811 TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) C61H96O6 ZEZMNCGRCXZDOR-QGPKCQKKSA-N +HMDB0053610 952.75199094 TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C63H100O6 RTNVVKOTXGJPGJ-MRLIGENJSA-N +HMDB0053612 978.767641004 TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H102O6 OUUACZFEHKKSHC-FIISSLSVSA-N +HMDB0053613 976.75199094 TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H100O6 LVULGVDFRMCAJP-OOLMCXGKSA-N +HMDB0053617 980.783291069 TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C65H104O6 ONLNESNWMKDEPS-QBUIFPKZSA-N +HMDB0053621 954.767641004 TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C63H102O6 IUKFCSZXWLWVSV-CREAHHFCSA-N +HMDB0053622 952.75199094 TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C63H100O6 IIRNIPXWMCLIGN-XJJVWCPNSA-N +HMDB0053623 980.783291069 TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C65H104O6 XPIVVSMKOZXPFD-JCFGAGDNSA-N +HMDB0053624 978.767641004 TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H102O6 XAEFFNXDYZHTNN-GPHGJLLNSA-N +HMDB0053629 980.783291069 TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6) C65H104O6 JAYITAIAYFOYRP-MAIKJOQESA-N +HMDB0053630 978.767641004 TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C65H102O6 RJFWEPAZVRIOOH-BSADJIHGSA-N +HMDB0053634 952.75199094 TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C63H100O6 LNLUHLHHOCNFLS-XIVQVKPWSA-N +HMDB0053636 978.767641004 TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C65H102O6 GBIRFFFMSPKFEB-KAYSYWCHSA-N +HMDB0053637 976.75199094 TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H100O6 XKOVFTWOPGPYGI-FRJFTXROSA-N +HMDB0053640 944.819676578 TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0) C63H108O5 LFYKQFUOADHDTL-WNQBHAGNSA-N +HMDB0053641 924.850976706 TG(20:2n6/o-18:0/20:2n6) C61H112O5 HMPAWVATDNDSKT-XEUHHCTMSA-N +HMDB0053644 952.882276835 TG(20:2n6/o-18:0/22:2(13Z,16Z)) C63H116O5 OYMCEAZYNJCWPE-FLXJHXBXSA-N +HMDB0053645 948.850976706 TG(20:2n6/o-18:0/22:4(7Z,10Z,13Z,16Z)) C63H112O5 RKZJFNKVHZZJGE-QHPKUKEUSA-N +HMDB0053652 944.819676578 TG(20:2n6/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H108O5 HIZPZYVVCLXNRY-VCJZFQNSSA-N +HMDB0053663 900.720690811 TG(20:3n6/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C59H96O6 ROGPEDYCAOGILA-QFAXZWRLSA-N +HMDB0053664 842.772726384 TG(20:3n6/14:0/o-18:0) C55H102O5 WWBWZANTQJGIBV-FQZFNFCTSA-N +HMDB0053688 870.804026513 TG(20:3n6/16:0/o-18:0) C57H106O5 CWLXAXNJGBVGCW-CQKBLQMKSA-N +HMDB0053691 964.845891326 TG(20:3n6/18:0/22:2(13Z,16Z)) C63H112O6 QNCBCQOFCIRMDR-BSNFIWSJSA-N +HMDB0053693 958.798941133 TG(20:3n6/18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H106O6 FJUCHGYLVVMEGA-PWVVNWSCSA-N +HMDB0053698 958.798941133 TG(20:3n6/18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H106O6 NUEYLMZDBXYDET-KJQUGCBZSA-N +HMDB0053699 956.783291069 TG(20:3n6/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H104O6 KDRWOUSNZBDXFR-SDPTVNQASA-N +HMDB0053701 962.830241252 TG(20:3n6/20:0/20:3n6) C63H110O6 ZMJSZQBPVUGYMY-KUCWVPRQSA-N +HMDB0053709 958.798941133 TG(20:3n6/20:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 SHWNHSAKNIOPPW-NPGRYNPDSA-N +HMDB0053712 926.866626771 TG(20:3n6/20:0/o-18:0) C61H114O5 IYTSSWXSXRRTMI-HIVQLAITSA-N +HMDB0053718 962.830241262 TG(20:3n6/22:0/18:3(9Z,12Z,15Z)) C63H110O6 UZIKBSYQATZXML-COEDDZBISA-N +HMDB0053724 954.8979269 TG(20:3n6/22:0/o-18:0) C63H118O5 YCGDLABDDKGWQV-LWEOUFGKSA-N +HMDB0053741 900.720690811 TG(20:3n6/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C59H96O6 OACZMCYGLSBUJM-AJZCWOQOSA-N +HMDB0053746 900.720690811 TG(20:3n6/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C59H96O6 FPSHTYJHVSXLOR-MOHFFBQJSA-N +HMDB0053757 900.720690811 TG(20:3n6/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C59H96O6 WZOAXQSXOUDVTF-KAFXWOSWSA-N +HMDB0053760 868.788376449 TG(20:3n6/16:1(9Z)/o-18:0) C57H104O5 QTTCWZLTKUELKJ-AHPWZIASSA-N +HMDB0053763 962.830241262 TG(20:3n6/18:1(11Z)/22:2(13Z,16Z)) C63H110O6 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TG(20:3n6/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 UTLDFQYGOHSAKY-PGXLCAQDSA-N +HMDB0053867 980.783291069 TG(20:3n6/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 LXJFDHZCAKDNRX-LJGMGBEESA-N +HMDB0053869 956.78329106 TG(20:3n6/20:3n6/20:3n6) C63H104O6 PMEABGYOVGWCSQ-OWSTVCCQSA-N +HMDB0053870 954.767641004 TG(20:3n6/20:3n6/20:4(5Z,8Z,11Z,14Z)) C63H102O6 LLTRXGBFCHGGPQ-CVXVAJIWSA-N +HMDB0053873 980.783291069 TG(20:3n6/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)) C65H104O6 SQNFAMFCWLTXBP-NYQJKXRGSA-N +HMDB0053876 954.767641004 TG(20:3n6/20:3n6/20:4(8Z,11Z,14Z,17Z)) C63H102O6 VZTQVMWXBQJQFL-CJCBZHARSA-N +HMDB0053877 952.75199094 TG(20:3n6/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 GQUORQBURNYKNQ-GABGCZDCSA-N +HMDB0053878 980.783291069 TG(20:3n6/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 VIBIIAUIZFMPDA-GOUXSMMJSA-N +HMDB0053879 978.767641004 TG(20:3n6/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 XXDBJHDRECUBNX-ANONBXLESA-N +HMDB0053881 954.767640996 TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/20:3n6) C63H102O6 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TG(20:3n6/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C63H104O6 WKMJVPNNZRZPKK-BAFIBNSUSA-N +HMDB0053904 950.866626771 TG(20:3n6/22:2(13Z,16Z)/o-18:0) C63H114O5 ROYJPPZMPGNTCP-VKWATNDDSA-N +HMDB0053906 980.783291069 TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C65H104O6 MUNBPCWOOXLCTN-HNYIGLNKSA-N +HMDB0053910 954.767641004 TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C63H102O6 FBVWZRNWVYGXSE-FGLBZDJESA-N +HMDB0053911 952.75199094 TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C63H100O6 FYXMPUDVYRLIIY-BLNHPGEGSA-N +HMDB0053912 980.783291069 TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C65H104O6 OIHKRHQEBBJGMC-ZZIBGWPQSA-N +HMDB0053913 978.767641004 TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H102O6 ITQKGJSZZRFPGO-KJSYODJUSA-N +HMDB0053917 980.78329106 TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6) C65H104O6 NWKWBJNWUOYDEU-ZVSHCWITSA-N +HMDB0053918 978.767641004 TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C65H102O6 GYKIUAHHSLWRCC-VDLLWIKLSA-N 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TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H102O6 QVXNVPNSDDBRRI-LIDBKKNKSA-N +HMDB0053959 924.720690811 TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) C61H96O6 BFHIXYFKXXDKJA-XKSFJAGQSA-N +HMDB0053960 952.75199094 TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C63H100O6 XLHCXTOOFJLBCC-SEDUIMLTSA-N +HMDB0053962 978.767641004 TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H102O6 AJBJMZWRBVANHW-OFCWBGGOSA-N +HMDB0053963 976.75199094 TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H100O6 WEIYGRYZWZVJNM-WJXRSXAVSA-N +HMDB0053965 952.751990932 TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6) C63H100O6 AYUYHZRNTHHDTD-XGEZYAKSSA-N +HMDB0053968 978.767641004 TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C65H102O6 REAOSGOGZMYBES-VWOCJVGSSA-N +HMDB0053969 976.75199094 TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H100O6 UPFPFVNSYAIZPP-RFWSHMJTSA-N +HMDB0053970 924.720690811 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TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z)) C63H104O6 GOBSVYLENLQESQ-NFIMDJPESA-N +HMDB0054190 952.75199094 TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C63H100O6 WEMUYPQCMUSKDO-IGTMGBHISA-N +HMDB0054194 924.720690811 TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) C61H96O6 GWEURXHGUZNRIT-JOTCGIDNSA-N +HMDB0054199 954.767641004 TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/20:4(5Z,8Z,11Z,14Z)) C63H102O6 PSSHOBGHPGDGSV-UEDOWZHKSA-N +HMDB0054202 980.783291069 TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)) C65H104O6 AKGKDADGQVDJFQ-IMIHIDGKSA-N +HMDB0054205 954.767641004 TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/20:4(8Z,11Z,14Z,17Z)) C63H102O6 RFNMQGVASYUQRC-IBYPJWTQSA-N +HMDB0054206 952.75199094 TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 IYWKHVMWOJKUJQ-FWFDRGOBSA-N +HMDB0054207 980.783291069 TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 KVYXNXVDUNZWSJ-FNNKRFCDSA-N +HMDB0054208 978.767641004 TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 PPOTXXPYDKRBFX-XGGWUGDISA-N +HMDB0054210 952.751990932 TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/20:4(5Z,8Z,11Z,14Z)) C63H100O6 HHRQBQZQQLMORJ-WTNBNRNLSA-N +HMDB0054212 980.783291069 TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/22:4(7Z,10Z,13Z,16Z)) C65H104O6 QZKVXJMSEGENRO-DUUKHDKXSA-N +HMDB0054213 978.767641004 TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)) C65H102O6 YJMGXZYEPBQBAS-RHMXECJUSA-N +HMDB0054215 924.720690811 TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/18:4(6Z,9Z,12Z,15Z)) C61H96O6 OADRPNFNIMRMSJ-IYLHTVELSA-N +HMDB0054216 952.75199094 TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/20:4(8Z,11Z,14Z,17Z)) C63H100O6 ABVLJQVWYOLQMF-GYOCQHIKSA-N +HMDB0054218 978.767641004 TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)) C65H102O6 KAEODHZECKFAMI-HKTXDWKRSA-N +HMDB0054219 976.75199094 TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H100O6 JZCOYMPHNKEFBL-OOQCWDLUSA-N +HMDB0054223 978.767641004 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) C65H102O6 DLGNQYNTHSLLTF-KPZKUVPUSA-N +HMDB0054224 976.75199094 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H100O6 KRLQJAOQAHGFBW-NNCYRJSESA-N +HMDB0054229 976.75199094 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H100O6 RBZWPWOMYYQLGS-MNETUWDNSA-N +HMDB0054236 956.783291069 TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z)) C63H104O6 VRQORPMJTGLJIF-KVHBMALXSA-N +HMDB0054237 954.767641004 TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C63H102O6 CXUAFHKFYPZCJF-GTDXWILQSA-N +HMDB0054239 980.783291069 TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H104O6 WUOIZTCKOHESSM-YDAOOVGJSA-N +HMDB0054242 948.850976706 TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/o-18:0) C63H112O5 FWZUXHAVUFTVEK-VRJAMGGUSA-N +HMDB0054243 978.767640996 TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C65H102O6 ZCXFXSOZEDCKII-DIUXQMCQSA-N +HMDB0054247 952.75199094 TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C63H100O6 XJSRQCYRQHWNOX-POCDRFPSSA-N +HMDB0054249 978.767641004 TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C65H102O6 JMDOVHGZTAWIRS-FPVWWCCKSA-N +HMDB0054250 976.75199094 TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H100O6 LOHAZCBURLHRGA-FJSQIZSJSA-N +HMDB0054253 944.819676578 TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0) C63H108O5 IWAAHSCTDZFCMG-SEVCLUMKSA-N +HMDB0054254 976.751990932 TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C65H100O6 BOCXQLMOUDZMLY-XZHLMPLWSA-N +HMDB0054260 976.75199094 TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C65H100O6 KBIZWAIRBWIMJH-WEXFHPIHSA-N +HMDB0054261 974.736340876 TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H98O6 UFZCYUBETGBVRN-YYFWOMMFSA-N +HMDB0054264 942.804026513 TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0) C63H106O5 DIBYWIYZKDKTEL-MNVKHDLZSA-N +HMDB0054265 924.720690804 TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) C61H96O6 BCNNDWUPEKMMJC-NFGRKTQJSA-N +HMDB0054266 956.783291069 TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z)) C63H104O6 KZMACVQAHWYDMM-NOJLWTIGSA-N +HMDB0054267 952.75199094 TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) C63H100O6 FXNFDHYNKSMWLO-VVIFFRGCSA-N +HMDB0054271 924.720690811 TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) C61H96O6 RLBRHSVOQORXKJ-UKULXMHJSA-N +HMDB0054277 954.767641004 TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)) C63H102O6 XPVVJFGULSFCAO-ZRANATLXSA-N +HMDB0054289 978.767641004 TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C65H102O6 FHXGXFQTGPOXHY-JNJHGGBTSA-N +HMDB0054290 976.75199094 TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H100O6 LTIDJEYLTBXYLE-IFVFVBBSSA-N +HMDB0054291 924.720690811 TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) C61H96O6 DKHXDEWODXYNLT-JPWRGKLZSA-N +HMDB0054295 976.75199094 TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H100O6 MHUAVEYSFKXLTQ-HTQBSBCMSA-N +HMDB0054296 974.736340876 TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H98O6 UBWVHRBREHBARK-KTUPTMNHSA-N +HMDB0054299 980.783291069 TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)) C65H104O6 MIHUZKOKUAIBTL-JTGMEFRQSA-N +HMDB0054300 976.75199094 TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C65H100O6 IFFCQSDSZZCHHD-CMIIIZKFSA-N +HMDB0054301 974.736340876 TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H98O6 RQKHMPSZDUHCED-ZXSGSBBZSA-N +HMDB0054306 974.736340876 TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H98O6 MLGSATAFRBQCQT-NGMUZLJMSA-N +HMDB0054309 976.751990932 TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C65H100O6 YXINJZXUPUXLPR-XCBFJODPSA-N +HMDB0054315 976.75199094 TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C65H100O6 PWGSYNKICGOQAF-LGWCTTQKSA-N +HMDB0054316 974.736340876 TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H98O6 GWSGWHHWROFTDI-QKPNHJSTSA-N +HMDB0054319 942.804026513 TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0) C63H106O5 OUDIBODAEFRRMK-XBXVJNCPSA-N +HMDB0054320 974.736340868 TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C65H98O6 DXMMCRIFBAEJJI-OZROQBHKSA-N +HMDB0054326 974.736340876 TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C65H98O6 YQBJSWUNYSIELN-CMHGXLFBSA-N +HMDB0054330 940.788376449 TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0) C63H104O5 LHOPPWWFGCZSQE-SWJWPVIXSA-N +HMDB0054332 948.850976706 TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/22:2(13Z,16Z)) C63H112O5 OIZPCGDUHJZSMK-HAHZAOLMSA-N +HMDB0054333 944.819676578 TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/22:4(7Z,10Z,13Z,16Z)) C63H108O5 QYDUYXRVYKJXAF-ZTDQSZJWSA-N 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TG(22:2(13Z,16Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H104O6 UJZZUTNWRYJMTF-HCENVZTBSA-N +HMDB0054437 958.798941133 TG(22:2(13Z,16Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 SOXFSPJIIHJCEP-NWRUXTBRSA-N +HMDB0054440 926.866626771 TG(22:2(13Z,16Z)/18:1(11Z)/o-18:0) C61H114O5 QZTJDZZOESOVDE-BHNDFJEDSA-N +HMDB0054447 958.798941133 TG(22:2(13Z,16Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 YDXADNGEUYJWKH-QJKCEVQZSA-N +HMDB0054450 926.866626771 TG(22:2(13Z,16Z)/18:1(9Z)/o-18:0) C61H114O5 AEOBRAGXLFVMRE-PSBJUOIMSA-N +HMDB0054454 962.830241262 TG(22:2(13Z,16Z)/20:1(11Z)/18:3(9Z,12Z,15Z)) C63H110O6 IMKJVBUOLHLZAH-USEOZZBRSA-N +HMDB0054460 954.8979269 TG(22:2(13Z,16Z)/20:1(11Z)/o-18:0) C63H118O5 KQSNLSIDQBGKLE-LKSFEHELSA-N +HMDB0054464 958.798941133 TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)) C63H106O6 KUWKDKKFKVFAGR-NLVJTZQVSA-N +HMDB0054465 956.783291069 TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)) C63H104O6 YHQURYLTBPXJMG-ONBAMPIVSA-N +HMDB0054470 950.866626771 TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/o-18:0) C63H114O5 YKIKYETUKYLZGC-SHGGJAQKSA-N +HMDB0054496 958.798941133 TG(22:2(13Z,16Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) C63H106O6 DSHWDOGQDLMJNI-DMCQEOTGSA-N +HMDB0054497 956.783291069 TG(22:2(13Z,16Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 NFXBUAHCKPMYSD-AQLBYAKASA-N +HMDB0054500 924.850976706 TG(22:2(13Z,16Z)/18:2(9Z,12Z)/o-18:0) C61H112O5 TYXIHILEHYUILL-IFRPMBHZSA-N +HMDB0054506 956.783291069 TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) C63H104O6 ONWVKDMOWWRYKJ-RAGWYHJSSA-N +HMDB0054507 954.767641004 TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 ZOOGEVWOZRKOCC-UAMGTFMYSA-N +HMDB0054509 980.783291069 TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 ZXNJPPFMHXBJOZ-UPVFHQHSSA-N +HMDB0054515 958.798941133 TG(22:2(13Z,16Z)/20:2n6/18:4(6Z,9Z,12Z,15Z)) C63H106O6 ZLBFDCQURCAMRP-IKXOKERUSA-N +HMDB0054520 952.882276835 TG(22:2(13Z,16Z)/20:2n6/o-18:0) C63H116O5 OWSJQXBTEYLBML-XUAJFUSCSA-N 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TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) C63H104O6 ZGVRHASAEPOUMI-MTRKIVENSA-N +HMDB0054577 954.767641004 TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 YTMLSQRVRJOZHY-LRXRLTCQSA-N +HMDB0054579 980.783291069 TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 IBRVYWQBLHWNLY-MKXNVOSWSA-N +HMDB0054583 980.783291069 TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H104O6 KDZYWQNMBRTHNK-JNXHQSFSSA-N +HMDB0054586 954.767641004 TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) C63H102O6 LEZCTIQNRDNRPA-SPEZVWQKSA-N +HMDB0054587 952.75199094 TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 BFTXLDFELASQJI-NCNBCIPSSA-N +HMDB0054588 980.783291069 TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 NNGSXHAOHVGQLQ-FRFWZLNASA-N +HMDB0054589 978.767641004 TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 VRDKJPIBXLZYBB-PXKZZXAOSA-N +HMDB0054594 956.783291069 TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) C63H104O6 ZENQZFFVOIAMBA-RFCARXCLSA-N +HMDB0054595 954.767641004 TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) C63H102O6 HHPKNJJAIMXMJO-QIOXGAFXSA-N +HMDB0054597 980.783291069 TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H104O6 LSBRSPXRXGIWSM-IMTNCTEXSA-N +HMDB0054600 948.850976706 TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0) C63H112O5 KUKXRUGYPUGLNB-IVFZQLKYSA-N +HMDB0054604 954.767641004 TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) C63H102O6 CHDGNFBVLBELFJ-RQLZCGBVSA-N +HMDB0054605 952.75199094 TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) C63H100O6 OXMRRWYQHLBNAT-UDDFTJNCSA-N +HMDB0054606 980.783291069 TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C65H104O6 QKFVWYDUZMSNAI-FAXRIKKGSA-N +HMDB0054607 978.767641004 TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H102O6 PYADCGOWWCWTFV-IEDLMCFFSA-N +HMDB0054615 980.783291069 TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C65H104O6 BDXWRENUBFQIOU-FPXDPFOGSA-N +HMDB0054624 980.783291069 TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C65H104O6 ICUVDUDMLHWGHD-WBSNOEKSSA-N +HMDB0054625 978.767641004 TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C65H102O6 PWILPMVZTCKVTA-QNJSMHJESA-N +HMDB0054636 948.850976706 TG(22:2(13Z,16Z)/o-18:0/20:4(8Z,11Z,14Z,17Z)) C63H112O5 JWOUNOKQOBGPPN-ISQSGKIASA-N +HMDB0054645 900.720690811 TG(22:4(7Z,10Z,13Z,16Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z)) C59H96O6 IITVMCHTPSACLP-KGWNEQIQSA-N +HMDB0054648 868.788376449 TG(22:4(7Z,10Z,13Z,16Z)/14:0/o-18:0) C57H104O5 BMHFNXTYTINNLE-KJBXMZTMSA-N +HMDB0054657 882.804026513 TG(22:4(7Z,10Z,13Z,16Z)/15:0/o-18:0) C58H106O5 HDEGSNZKEZNQTG-VCYUSANISA-N +HMDB0054658 958.798941124 TG(22:4(7Z,10Z,13Z,16Z)/16:0/22:4(7Z,10Z,13Z,16Z)) C63H106O6 BVJYLMXQFAHMGO-FJMOMHBISA-N +HMDB0054659 956.783291069 TG(22:4(7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H104O6 AVHSMRVNDALZFQ-FRCVANJRSA-N +HMDB0054664 956.783291069 TG(22:4(7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 BXTYKLWEJMYKID-OEHYGIDGSA-N +HMDB0054665 954.767641004 TG(22:4(7Z,10Z,13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 CZCKEHKZTUAGLH-KRHHVRJRSA-N +HMDB0054671 958.798941133 TG(22:4(7Z,10Z,13Z,16Z)/18:0/20:4(8Z,11Z,14Z,17Z)) C63H106O6 JYHMTHDHJBNVQX-YKRKGPPRSA-N +HMDB0054672 956.783291069 TG(22:4(7Z,10Z,13Z,16Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 RVQQPBSTHIVINE-VYGGCHMVSA-N +HMDB0054675 924.850976706 TG(22:4(7Z,10Z,13Z,16Z)/18:0/o-18:0) C61H112O5 DUQASBXYPRNVES-BSBVFOQZSA-N +HMDB0054679 958.798941133 TG(22:4(7Z,10Z,13Z,16Z)/20:0/18:4(6Z,9Z,12Z,15Z)) C63H106O6 CVLWWEVOWKHNNO-IRSOETISSA-N +HMDB0054684 952.882276835 TG(22:4(7Z,10Z,13Z,16Z)/20:0/o-18:0) C63H116O5 KDPNULICSKUKOB-BYWAHYPJSA-N +HMDB0054707 900.720690811 TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C59H96O6 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TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)) C63H102O6 RAOLZQQBRJPHKT-RIAAZZFWSA-N +HMDB0054751 952.75199094 TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)) C63H100O6 HAFMBTFFCFVZFH-XNEFXRFXSA-N +HMDB0054752 980.783291069 TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)) C65H104O6 AAAUQAJYMBAEDN-SDYYSCIWSA-N +HMDB0054753 978.767641004 TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H102O6 SXLJFLPUYAAMSI-TUMCJNHQSA-N +HMDB0054776 980.783291069 TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H104O6 GASSAAYRXQQJLB-GPXCYKGQSA-N +HMDB0054779 954.767641004 TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) C63H102O6 GWVGQNBVSXPODP-RZTXRJSGSA-N +HMDB0054780 952.75199094 TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 PJNRHMLPSAIXIL-RMQOYJQKSA-N +HMDB0054781 994.798941124 TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C66H106O6 MYJWWYIUFIBLJK-OXGYLKBDSA-N +HMDB0054782 978.767641004 TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 HZVGBFLSCGEAAE-VIZGOJCDSA-N +HMDB0054784 980.78329106 TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C65H104O6 JGJNMFUCXCXAKE-LXZZEIIHSA-N +HMDB0054785 978.767641004 TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H102O6 UHJHJZHWOBUIFZ-GTOPMEDRSA-N +HMDB0054787 924.720690811 TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) C61H96O6 LNTDKUBVWIHAKI-IZSNUVMESA-N +HMDB0054788 952.75199094 TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) C63H100O6 KSUYSWUNWRLYBY-ZBHBNQTRSA-N +HMDB0054790 978.767641004 TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H102O6 MJRMGSNLYWPJLO-YOWXFGQLSA-N +HMDB0054791 976.75199094 TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H100O6 VQQAYQWXQXRZHI-XXLHDPTDSA-N +HMDB0054795 956.783291069 TG(22:4(7Z,10Z,13Z,16Z)/20:2n6/18:3(9Z,12Z,15Z)) C63H104O6 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TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H100O6 UPVISHBUYMKHRG-RJGVUJFSSA-N +HMDB0055094 924.720690811 TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) C61H96O6 NKHUBYYMFGFTBT-YHQGAVFBSA-N +HMDB0055098 976.75199094 TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H100O6 SNTGZWYCTMYTOD-AFKMUTBASA-N +HMDB0055099 974.736340876 TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H98O6 VXWOYIMCGZLATM-FUVNPKLISA-N +HMDB0055101 974.736340868 TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H98O6 NZGAHETUOKYLSV-KHVINVGPSA-N +HMDB0055106 974.736340876 TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H98O6 UWQFVORTWFKSOT-NCLMAHQZSA-N +HMDB0055112 976.75199094 TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C65H100O6 SRBSGDVVPHPNDO-VWALSOBTSA-N +HMDB0055113 974.736340876 TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H98O6 ZWYPDEYRJRCIAW-HNVULPCWSA-N +HMDB0055116 942.804026513 TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0) C63H106O5 BPAMRGTXFLHKIB-VYQSYQJESA-N +HMDB0055120 974.736340876 TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C65H98O6 XPNIGQULVQXNOR-WGNGNYRNSA-N +HMDB0055124 940.788376449 TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0) C63H104O5 SXUJRBNGKRSZMK-RSJZAVQJSA-N +HMDB0055126 976.75199094 TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C65H100O6 SYWBOISBWLVQRM-DIYJIBIVSA-N +HMDB0055127 974.736340876 TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C65H98O6 HGLWRMSTDIUKPJ-OBDYTBJUSA-N +HMDB0055134 974.736340876 TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C65H98O6 PJUXPSZIAMGJNO-KIQLQHRDSA-N +HMDB0055140 966.804026513 TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0) C65H106O5 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TG(18:3(9Z,12Z,15Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)) C63H100O6 BBJDEDZNDSLQPM-MWYIYXPCSA-N +HMDB0055283 924.720690811 TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) C61H96O6 YDRIITRYYSNHJE-PFNGUKLTSA-N +HMDB0055290 956.783291069 TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C63H104O6 VRDFIQSWUACISW-IZYNXEDNSA-N +HMDB0055291 954.767641004 TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 KAOUTJZLIDQIDJ-SVIMKBJRSA-N +HMDB0055293 980.783291069 TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 PHBPVJUUYJZCOS-BTFSSQDWSA-N +HMDB0055296 924.720690811 TG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C61H96O6 UFAIMASITNLXEW-PNUDZBTKSA-N +HMDB0055297 952.75199094 TG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C63H100O6 NQVAELCJJYGSJQ-AMXZYMOQSA-N +HMDB0055299 978.767641004 TG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H102O6 WFPDDMWARPVGSU-UBJYRDLHSA-N +HMDB0055300 976.75199094 TG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H100O6 MULNUHSRKPNWLL-XNNXLCRESA-N +HMDB0055302 924.720690804 TG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C61H96O6 CDMMBNHFKIGUCQ-LQRBBFFOSA-N +HMDB0055306 976.75199094 TG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H100O6 XWQYOJPOKGTBNZ-RBJJIACISA-N +HMDB0055307 974.736340876 TG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H98O6 RJQLMNLOMYMQTG-IJGMCPITSA-N +HMDB0055325 924.720690811 TG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C61H96O6 ULMDLWOZXLWNSK-COGRUCQWSA-N +HMDB0055337 924.720690804 TG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C61H96O6 CHOVJZYSPBBQPK-ZBCFUSIVSA-N +HMDB0055341 976.75199094 TG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H100O6 TZHNFARYORXAOO-UHADCEBTSA-N +HMDB0055342 974.736340876 TG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H98O6 HDRSBEGKBHLZCW-RMXAKDHHSA-N +HMDB0055348 974.736340876 TG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H98O6 DKVBIZBAPFCQCD-RUIDFXLVSA-N +HMDB0055372 900.720690811 TG(18:4(6Z,9Z,12Z,15Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C59H96O6 WFGBZGXKOVKMDE-BUQSLHTBSA-N +HMDB0055377 900.720690811 TG(18:4(6Z,9Z,12Z,15Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C59H96O6 LOPISFWKDHPVGZ-RLKXHVNISA-N +HMDB0055380 868.788376449 TG(18:4(6Z,9Z,12Z,15Z)/18:0/o-18:0) C57H104O5 FDFREEAVFLANHV-FRVOMFDKSA-N +HMDB0055384 956.783291069 TG(18:4(6Z,9Z,12Z,15Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 AOTFUYDDGGOHGP-YPNLPGCTSA-N +HMDB0055385 954.767641004 TG(18:4(6Z,9Z,12Z,15Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 MLCGMLRNSFLNND-SLWMPKCOSA-N +HMDB0055388 958.798941133 TG(18:4(6Z,9Z,12Z,15Z)/22:0/20:4(8Z,11Z,14Z,17Z)) C63H106O6 MLBXOOYHYHHLQI-CGEBVKDKSA-N +HMDB0055389 956.783291069 TG(18:4(6Z,9Z,12Z,15Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 PWMCWAZYXBHOKR-HLGYKAKVSA-N +HMDB0055392 924.850976706 TG(18:4(6Z,9Z,12Z,15Z)/22:0/o-18:0) C61H112O5 YOIYDGJMKJEXTG-ZGKFSGSJSA-N +HMDB0055393 958.798941124 TG(18:4(6Z,9Z,12Z,15Z)/24:0/18:4(6Z,9Z,12Z,15Z)) C63H106O6 XBZRFWSSSDXNCN-YSTZOJCNSA-N +HMDB0055398 952.882276835 TG(18:4(6Z,9Z,12Z,15Z)/24:0/o-18:0) C63H116O5 XQQJAGYYEVRLNX-GFAJMFIRSA-N +HMDB0055410 838.741426256 TG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/o-18:0) C55H98O5 JTHKVFDOMHYCNA-AIUSJKFJSA-N +HMDB0055412 900.720690811 TG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C59H96O6 TZNCRMSXUPMKHT-KZRISWILSA-N +HMDB0055415 924.720690811 TG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H96O6 LNYZAFAGHAFCHN-TUJQORBGSA-N +HMDB0055416 866.772726384 TG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/o-18:0) C57H102O5 IHUWPEXZDFNJHC-SSFJOSMMSA-N +HMDB0055418 900.720690811 TG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C59H96O6 KCXCVMHVAMVXKN-RSVDGXNBSA-N +HMDB0055421 924.720690811 TG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H96O6 ODSPHNHCZQVDMR-RRXWXJJESA-N 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TG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z)) C63H104O6 NSAPJHVXFFFJJZ-IEECSKRWSA-N +HMDB0055446 950.866626771 TG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/o-18:0) C63H114O5 RHQBRHXLEMVAPU-OIVAJGPLSA-N +HMDB0055450 924.720690811 TG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C61H96O6 GFYRVXIUUHCNOX-PYBIRZDYSA-N +HMDB0055461 924.720690811 TG(18:4(6Z,9Z,12Z,15Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)) C61H96O6 VFVJRYCSOQQDRY-DDUYTNIKSA-N +HMDB0055462 952.75199094 TG(18:4(6Z,9Z,12Z,15Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)) C63H100O6 GYHBJVUQEUTNJK-DXLSKUAMSA-N +HMDB0055466 924.720690811 TG(18:4(6Z,9Z,12Z,15Z)/20:3n6/20:4(8Z,11Z,14Z,17Z)) C61H96O6 QOWBFANLOZBMRP-BGIUHIBNSA-N +HMDB0055478 954.767641004 TG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C63H102O6 PTSQXKFHEOEPFF-BWZJOCMQSA-N +HMDB0055479 952.75199094 TG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 FCYZFOKGTFCMBJ-GZRWFLKJSA-N +HMDB0055480 980.783291069 TG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 WSUKABRGISKTKI-CYJBUPIJSA-N +HMDB0055481 978.767641004 TG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 TXXAAMLWYFWSKB-LCRQXKBFSA-N +HMDB0055486 976.75199094 TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H100O6 ZJDPMLJZMVILST-VXOFYVADSA-N +HMDB0055487 974.736340876 TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H98O6 HUYCOKLLYZTFEE-POOOPPLSSA-N +HMDB0055492 974.736340876 TG(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H98O6 JBTCSEUULKOTDN-VKGWCSRVSA-N +HMDB0055518 886.741426256 TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0) C59H98O5 DIZRZQIIMNNDRW-OCEZWEHYSA-N +HMDB0055522 974.736340876 TG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H98O6 KGMWBODWUGOVSS-APHFBTFESA-N +HMDB0055533 886.741426256 TG(18:4(6Z,9Z,12Z,15Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C59H98O5 YFYJXMNGNGSIPY-KLGIAUMFSA-N +HMDB0055538 900.720690811 TG(20:4(8Z,11Z,14Z,17Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z)) C59H96O6 SQQWFCDATGFENQ-BRSLTISYSA-N +HMDB0055547 900.720690811 TG(20:4(8Z,11Z,14Z,17Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z)) C59H96O6 BHWDZFUPBDUEAH-AHEBDYNWSA-N +HMDB0055550 868.788376449 TG(20:4(8Z,11Z,14Z,17Z)/16:0/o-18:0) C57H104O5 OODSECKBPNOQSL-ITQLONQQSA-N +HMDB0055553 956.783291069 TG(20:4(8Z,11Z,14Z,17Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C63H104O6 NQBFZMRNBOGVBN-AAUNIOLPSA-N +HMDB0055554 954.767641004 TG(20:4(8Z,11Z,14Z,17Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 ZCTSKQXPXJRBOE-NSZDRZAQSA-N +HMDB0055556 958.798941124 TG(20:4(8Z,11Z,14Z,17Z)/20:0/20:4(8Z,11Z,14Z,17Z)) C63H106O6 VPOZOJSGWJGLAC-LTMNVVETSA-N +HMDB0055557 956.783291069 TG(20:4(8Z,11Z,14Z,17Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H104O6 YQTVDMDWRIUVLK-NWFVAGRRSA-N +HMDB0055560 924.850976706 TG(20:4(8Z,11Z,14Z,17Z)/20:0/o-18:0) C61H112O5 AHWAAIWRGKZIQL-PNXODHRNSA-N +HMDB0055565 952.882276835 TG(20:4(8Z,11Z,14Z,17Z)/22:0/o-18:0) C63H116O5 SLYLFMOSDCVRJE-UPHNUPBLSA-N +HMDB0055575 838.741426256 TG(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)/o-18:0) C55H98O5 FRZIUSLXTUICSQ-HTNVVQHESA-N +HMDB0055576 900.720690804 TG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C59H96O6 ZBFSNQAJGYUCEB-JREPOLGBSA-N +HMDB0055579 924.720690811 TG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H96O6 SUUKHPGWXKPJHR-USVDPLRASA-N +HMDB0055580 866.772726384 TG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/o-18:0) C57H102O5 VXMBUOMIVSCLTQ-IIAASTAYSA-N +HMDB0055583 954.767641004 TG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 HPDGVKHFCTUXLJ-ZGXJXTGRSA-N +HMDB0055584 952.75199094 TG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 JZOMROZIKMUNRL-SYYWSRFDSA-N +HMDB0055585 894.804026513 TG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/o-18:0) C59H106O5 YNSZYTDNGONQCW-UINOCOEESA-N +HMDB0055588 954.767641004 TG(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H102O6 SGOXOYQAVRXXMO-KPCHQBEESA-N +HMDB0055589 952.75199094 TG(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 JMXWOODHKZQOTJ-TWBKCVFPSA-N +HMDB0055590 894.804026513 TG(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/o-18:0) C59H106O5 HEIAOQGWRROSQN-CNVGNDOZSA-N +HMDB0055591 956.78329106 TG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C63H104O6 DSEZAKGJLUPKSF-DZAMOJFSSA-N +HMDB0055592 954.767641004 TG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C63H102O6 DVOPPHNPCKLGLG-PSNQNQSKSA-N +HMDB0055594 980.783291069 TG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H104O6 AHELIOBCROQGBQ-GULUJBEHSA-N +HMDB0055596 952.751990932 TG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)) C63H100O6 BZSQSBHEVLMJAJ-LMVQTZQESA-N +HMDB0055598 978.767641004 TG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H102O6 XPUDKPRPIYUKFD-WARZPKRTSA-N +HMDB0055599 976.75199094 TG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H100O6 OCKZCSGVPDLCOR-RBNOBTHCSA-N +HMDB0055605 950.866626771 TG(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)/o-18:0) C63H114O5 COHAHZFRWDOLFS-DIIGKJGESA-N +HMDB0055612 924.720690811 TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C61H96O6 SOVSZEWJOOZRMD-GGDKLTOOSA-N +HMDB0055613 952.75199094 TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C63H100O6 CPUKBWQAKQTPIK-JGWAYSGHSA-N +HMDB0055616 924.720690804 TG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) C61H96O6 KHJBRHVZLQLMHJ-VBNXLDSESA-N +HMDB0055621 954.767641004 TG(20:4(8Z,11Z,14Z,17Z)/20:2n6/20:4(8Z,11Z,14Z,17Z)) C63H102O6 ZWTWQURYSLMNII-AYAHJNKDSA-N +HMDB0055622 952.75199094 TG(20:4(8Z,11Z,14Z,17Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)) C63H100O6 CKABQJDLXLDWME-DCIRFFBUSA-N +HMDB0055623 980.783291069 TG(20:4(8Z,11Z,14Z,17Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)) C65H104O6 AWRYVSSWZIIKCV-OZMMSJINSA-N +HMDB0055624 978.767641004 TG(20:4(8Z,11Z,14Z,17Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H102O6 QIZRQVJXILJOKI-OJKRWJDOSA-N 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RRALAGZOUWRTFP-USQBYQOHSA-N +HMDB0056084 670.553625483 DG(20:0/0:0/20:5n3) C43H74O5 UFBCJKWLEUICAE-XHJGARTISA-N +HMDB0056148 614.491025225 DG(14:1n5/0:0/22:4n6) C39H66O5 YWYQODJQQTZXGP-XDZXJOEWSA-N +HMDB0056149 612.475375161 DG(14:1n5/0:0/22:5n6) C39H64O5 CDTXMUFCBIHNCK-NUUBBBAFSA-N +HMDB0056154 612.475375161 DG(14:1n5/0:0/22:5n3) C39H64O5 DSPKXVYJORTNRJ-AQUVOALMSA-N +HMDB0056167 614.491025225 DG(16:1n7/0:0/20:4n6) C39H66O5 JWCNGONSUJKGDO-HKHOLRNYSA-N +HMDB0056173 614.491025225 DG(16:1n7/0:0/20:4n3) C39H66O5 RESRNMIXCOXYHQ-FXGFDOJOSA-N +HMDB0056174 612.475375161 DG(16:1n7/0:0/20:5n3) C39H64O5 XJJBSSJHWZLHHT-VXNPXAPHSA-N +HMDB0056189 670.553625483 DG(18:1n7/0:0/22:4n6) C43H74O5 IKSWSKJAXUGKHC-YKLMAKBOSA-N +HMDB0056190 668.537975418 DG(18:1n7/0:0/22:5n6) C43H72O5 RJUNCJKUOOBPGW-QIVCKLOOSA-N +HMDB0056192 614.491025225 DG(18:1n7/0:0/18:4n3) C39H66O5 FYYBTKGJGCSNCV-JRRRHNQSSA-N +HMDB0056195 668.537975418 DG(18:1n7/0:0/22:5n3) C43H72O5 BWPPXWXSNNMLOW-MOZLSNFLSA-N +HMDB0056208 670.553625483 DG(18:1n9/0:0/22:4n6) C43H74O5 QPKXQZITTOAAKY-UAGIJASUSA-N +HMDB0056209 668.537975418 DG(18:1n9/0:0/22:5n6) C43H72O5 GHJOXQFLZDFHBM-UKICFWOOSA-N +HMDB0056211 614.491025222 DG(18:1n9/0:0/18:4n3) C39H66O5 IAFKLCDFTGOUGB-YKVFHVBNSA-N +HMDB0056214 668.537975418 DG(18:1n9/0:0/22:5n3) C43H72O5 MARDKHBEDGKFMD-IGQXSGMTSA-N +HMDB0056224 670.553625483 DG(20:1n9/0:0/20:4n6) C43H74O5 KYTZSBQBUCWGRJ-NDSSCVKOSA-N +HMDB0056230 670.553625483 DG(20:1n9/0:0/20:4n3) C43H74O5 MGNMWMMQKHUXCT-GHHPGRLNSA-N +HMDB0056231 668.537975418 DG(20:1n9/0:0/20:5n3) C43H72O5 JADWQWJGAYXZKD-GJSVQJKPSA-N +HMDB0056234 668.537975414 DG(20:3n9/0:0/20:3n9) C43H72O5 GOLRHKZVCRTBFW-TYPXCCOQSA-N +HMDB0056239 670.553625483 DG(20:3n9/0:0/20:2n6) C43H74O5 IGVSZJYOSQMZTC-XASTUVSNSA-N +HMDB0056240 668.537975418 DG(20:3n9/0:0/20:3n6) C43H72O5 PPTFPPBZILRDOI-PWCDXBRGSA-N +HMDB0056262 670.553625483 DG(22:1n9/0:0/18:4n3) C43H74O5 QWBJFHUMPKVXOT-UQJNFHCUSA-N +HMDB0056283 628.50667529 DG(18:2n6/0:0/18:3n6) C40H68O5 DQSHOTZVAMTFFY-YKOUHSFPSA-N +HMDB0056288 682.553625483 DG(18:2n6/0:0/22:4n6) C44H74O5 RSFDYJRKLOLHJO-YWZUKEIHSA-N +HMDB0056290 628.50667529 DG(18:2n6/0:0/18:3n3) C40H68O5 VLJNBDVONLLDHB-LYDYFVHUSA-N +HMDB0056291 626.491025225 DG(18:2n6/0:0/18:4n3) C40H66O5 JODFYBIHEFCIFI-MHGYVTJFSA-N +HMDB0056296 612.475375158 DG(18:3n6/0:0/18:3n6) C39H64O5 LZSJCSQKHQTZID-HUYIQXHZSA-N +HMDB0056300 670.553625483 DG(18:3n6/0:0/22:2n6) C43H74O5 WZWSISJCYNBNPX-AFNSDXKHSA-N +HMDB0056303 612.475375161 DG(18:3n6/0:0/18:3n3) C39H64O5 UFKFDATWXJRMOS-UKPISMAMSA-N +HMDB0056310 670.553625483 DG(20:2n6/0:0/20:3n6) C43H74O5 IVASVZFPDOWZBQ-MXAZPZDMSA-N +HMDB0056311 668.537975418 DG(20:2n6/0:0/20:4n6) C43H72O5 ODIFDYMVTZMQLS-SZDMVCCJSA-N +HMDB0056317 668.537975418 DG(20:2n6/0:0/20:4n3) C43H72O5 ZLEJYIVDPRFANO-WUIAEINNSA-N +HMDB0056321 668.537975414 DG(20:3n6/0:0/20:3n6) C43H72O5 YTOCFNTUAXVUGF-HUYIQXHZSA-N +HMDB0056345 670.553625483 DG(22:2n6/0:0/18:3n3) C43H74O5 WGCCNBRJWHJBEZ-KUSRJDHNSA-N +HMDB0056346 668.537975418 DG(22:2n6/0:0/18:4n3) C43H72O5 GRJUVGUIQWBDLN-FCDTXGFCSA-N +HMDB0056366 612.475375158 DG(18:3n3/0:0/18:3n3) C39H64O5 NSOPGAYUGBZWHL-YTWBPVBXSA-N +HMDB0059655 148.037173366 2-Hydroxyglutarate C5H8O5 HWXBTNAVRSUOJR-UHFFFAOYSA-N +HMDB0059777 286.214409448 "2,2,4-Trimethyl-1,3-pentadienol diisobutyrate" C16H30O4 OMVSWZDEEGIJJI-UHFFFAOYSA-N +HMDB0059805 133.052763851 5-Hydroxyindole C8H7NO LMIQERWZRIFWNZ-UHFFFAOYSA-N +HMDB0059810 106.07825032 m-Xylene C8H10 IVSZLXZYQVIEFR-UHFFFAOYSA-N +HMDB0059819 120.093900384 o-Ethyltoluene C9H12 HYFLWBNQFMXCPA-UHFFFAOYSA-N +HMDB0059830 240.281701152 Heptadecane C17H36 NDJKXXJCMXVBJW-UHFFFAOYSA-N +HMDB0059832 134.109550448 4-Ethyl-o-xylene C10H14 SBUYFICWQNHBCM-UHFFFAOYSA-N +HMDB0059835 142.135765198 Nonanal C9H18O GYHFUZHODSMOHU-UHFFFAOYSA-N +HMDB0059837 118.07825032 Indane C9H10 PQNFLJBBNBOBRQ-UHFFFAOYSA-N +HMDB0059839 136.125200515 Camphene C10H16 CRPUJAZIXJMDBK-UHFFFAOYSA-N +HMDB0059843 88.034670946 (1E)-1-(methylthio)prop-1-ene C4H8S YJOGCMRDEUBRJD-ONEGZZNKSA-N +HMDB0059847 132.057514878 2-Methylcumarone C9H8O GBGPVUAOTCNZPT-UHFFFAOYSA-N +HMDB0059848 120.093900384 m-Ethyl_toluene C9H12 ZLCSFXXPPANWQY-UHFFFAOYSA-N +HMDB0059851 106.07825032 o-Xylene C8H10 CTQNGGLPUBDAKN-UHFFFAOYSA-N +HMDB0059873 122.073164942 3-Ethylphenol C8H10O HMNKTRSOROOSPP-UHFFFAOYSA-N +HMDB0059877 120.093900384 Propylbenzene C9H12 ODLMAHJVESYWTB-UHFFFAOYSA-N +HMDB0059878 202.172150708 alpha-Curcumene C15H22 VMYXUZSZMNBRCN-UHFFFAOYSA-N +HMDB0059886 212.250401024 Pentadecane C15H32 YCOZIPAWZNQLMR-UHFFFAOYSA-N +HMDB0059889 102.10446507 Isohexanol C6H14O PCWGTDULNUVNBN-UHFFFAOYSA-N +HMDB0059899 118.07825032 alpha-Methylstyrene C9H10 XYLMUPLGERFSHI-UHFFFAOYSA-N +HMDB0059901 120.093900384 Hemimellitene C9H12 FYGHSUNMUKGBRK-UHFFFAOYSA-N +HMDB0059905 106.07825032 Ethylbenzene C8H10 YNQLUTRBYVCPMQ-UHFFFAOYSA-N +HMDB0059907 198.23475096 Tetradecane C14H30 BGHCVCJVXZWKCC-UHFFFAOYSA-N +HMDB0059909 282.328651344 Eicosane C20H42 CBFCDTFDPHXCNY-UHFFFAOYSA-N +HMDB0059911 231.020143093 "Paracetamol sulfate" C8H9NO5S IGTYILLPRJOVFY-UHFFFAOYSA-N +HMDB0059924 106.07825032 p-Xylene C8H10 URLKBWYHVLBVBO-UHFFFAOYSA-N +HMDB0060015 173.99867937 "Phenol sulphate" C6H6O4S CTYRPMDGLDAWRQ-UHFFFAOYSA-N +HMDB0060038 268.240230268 "10Z-Heptadecenoic acid" C17H32O2 GDTXICBNEOEPAZ-FPLPWBNLSA-N +HMDB0060039 306.255880332 "11,14,17-Eicosatrienoic acid" C20H34O2 AHANXAKGNAKFSK-PDBXOOCHSA-N +HMDB0060256 166.047738052 L-Xylonate C5H10O6 QXKAIJAYHKCRRA-NUNKFHFFSA-N +HMDB0060282 324.035866536 3'-UMP C9H13N2O9P FOGRQMPFHUHIGU-XVFCMESISA-N +HMDB0060289 161.047678473 Quinoline-4,8-diol C9H7NO2 PYELIMVFIITPER-UHFFFAOYSA-N +HMDB0060472 296.132491381 Didemethylcitalopram C18H17FN2O RKUKMUWCRLRPEJ-UHFFFAOYSA-N +HMDB0060493 293.111066589 N-Acetylmuramate C11H19NO8 MNLRQHMNZILYPY-MKFCKLDKSA-N +HMDB0060564 236.104859 Carboxy-ibuprofen C13H16O4 DIVLBIVDYADZPL-UHFFFAOYSA-N +HMDB0060565 222.125594442 1-Hydroxyibuprofen C13H18O3 RMOQYHYFRKTDRI-UHFFFAOYSA-N +HMDB0060602 195.053157781 "N-acetyl-5-aminosalicylic acid" C9H9NO4 GEFDRROBUCULOD-UHFFFAOYSA-N +HMDB0060656 206.141913208 Monoethylglycinexylidide C12H18N2O WRMRXPASUROZGT-UHFFFAOYSA-N +HMDB0060920 222.125594442 2-Hydroxyibuprofen C13H18O3 UJHKVYPPCJBOSG-UHFFFAOYSA-N +HMDB0060921 222.125594442 3-Hydroxyibuprofen C13H18O3 HFAIHLSDLUYLQA-UHFFFAOYSA-N +HMDB0061014 574.247915067 <i>para</i>-hydroxyatorvastatin C33H35FN2O6 SOZOATLLFFVAPM-UHFFFAOYSA-N +HMDB0061015 574.247915067 <i>ortho</i>-hydroxyatorvastatin C33H35FN2O6 CZBPKFICAYVHHM-UHFFFAOYSA-N +HMDB0061112 240.099773622 "3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid" C12H16O5 WMCQWXZMVIETAO-UHFFFAOYSA-N +HMDB0061115 246.13682783 Lenticin C14H18N2O2 AOHCBEAZXHZMOR-ZDUSSCGKSA-N +HMDB0061384 184.121177766 N-(3-acetamidopropyl)pyrrolidin-2-one C9H16N2O2 OAUYENAPBFTAQT-UHFFFAOYSA-N +HMDB0061642 415.329773555 "3-hydroxyhexadecanoyl carnitine" C23H45NO5 XKAZIAFZAQAHHG-UHFFFAOYSA-N +HMDB0061652 132.07864425 "3-hydroxyhexanoic acid" C6H12O3 HPMGFDVTYHWBAG-UHFFFAOYSA-N +HMDB0061684 173.105193351 N-Acetylisoleucine C8H15NO3 JDTWZSUNGHMMJM-UHFFFAOYSA-N +HMDB0061696 600.327463672 1-Stearoylglycerophosphoinositol C27H53O12P MXAFDFDAIFZFET-CZDOQZASSA-N +HMDB0061697 512.311419678 1-Stearoylglycerophosphoglycerol C24H49O9P HFJVKBVEKQHVTO-UHFFFAOYSA-N +HMDB0061701 522.355964567 2-Oleoylglycerophosphocholine C26H53NO7P SULIDBRAXVDKBU-SEYXRHQNSA-O +HMDB0061702 496.340314503 2-Palmitoylglycerophosphocholine C24H51NO7P NEGQHKSYEYVFTD-UHFFFAOYSA-O +HMDB0061703 512.311419678 2-Stearoylglycerophosphoglycerol C24H49O9P ZYKIFISVQNGKFE-UHFFFAOYSA-N +HMDB0061705 143.058243159 "6-Oxopiperidine-2-carboxylic acid" C6H9NO3 FZXCPFJMYOQZCA-UHFFFAOYSA-N +HMDB0061707 242.224580204 "13-Methylmyristic acid" C15H30O2 ZOCYQVNGROEVLU-UHFFFAOYSA-N +HMDB0061708 296.23514489 13-HODE C18H32O3 HNICUWMFWZBIFP-IRQZEAMPSA-N +HMDB0061709 270.255880335 15-Methylpalmitate C17H34O2 IIUXHTGBZYEGHI-UHFFFAOYSA-N +HMDB0061710 298.28718046 17-Methylstearate C19H38O2 YETXGSGCWODRAA-UHFFFAOYSA-N +HMDB0061711 111.99254516 Methylphosphate CH5O4P CAAULPUQFIIOTL-UHFFFAOYSA-N +HMDB0061712 702.567574782 "Palmitoyl sphingomyelin" C39H79N2O6P RWKUXQNLWDTSLO-GWQJGLRPSA-N +HMDB0061714 336.302830524 "Docosadienoate (22:2n6)" C22H40O2 HVGRZDASOHMCSK-UHFFFAOYSA-N +HMDB0061715 161.068807845 "Glutamate, gamma-methyl ester" C6H11NO4 ZGEYCCHDTIDZAE-UHFFFAOYSA-N +HMDB0061717 261.121237336 Succinylcarnitine C11H19NO6 HAEVNYBCYZZDFL-MRVPVSSYSA-N +HMDB0061795 138.140850576 (S)-3,7-Dimethyl-1,6-octadiene C10H18 FUDNBFMOXDUIIE-SNVBAGLBSA-N +HMDB0061822 282.167853186 "Hexaethylene glycol" C12H26O7 IIRDTKBZINWQAW-UHFFFAOYSA-N +HMDB0061835 326.194067936 "Heptaethylene glycol" C14H30O8 XPJRQAIZZQMSCM-UHFFFAOYSA-N +HMDB0061851 204.187800773 alpha-Copaene C15H24 VLXDPFLIRFYIME-XIQJJJERSA-N +HMDB0061864 280.24023027 "Dihomolinoleic acid" C18H32O2 GKJZMAHZJGSBKD-JPDBVBESSA-N +HMDB0061869 41.026549101 Acetonitrile C2H3N WEVYAHXRMPXWCK-UHFFFAOYSA-N +HMDB0061871 90.05032101 1-(Methylthio)-propane C4H10S ZOASGOXWEHUTKZ-UHFFFAOYSA-N +HMDB0061875 84.068748266 2-(Dimethylamino)acetonitrile C4H8N2 PLXBWEPPAAQASG-UHFFFAOYSA-N +HMDB0061883 116.083729628 "Caproate (6:0)" C6H12O2 FUZZWVXGSFPDMH-UHFFFAOYSA-N +HMDB0061884 86.109550448 2-Methylpentane C6H14 AFABGHUZZDYHJO-UHFFFAOYSA-N +HMDB0061885 86.109550448 3-Methylpentane C6H14 PFEOZHBOMNWTJB-UHFFFAOYSA-N +HMDB0061890 186.064056818 Pyroglutamylglycine C7H10N2O4 MGEFGYONNZYSPY-UHFFFAOYSA-N +HMDB0061892 98.109550448 2-Heptene C7H14 OTTZHAVKAVGASB-HYXAFXHYSA-N +HMDB0061896 114.10446507 2-Methyl-3-hexanone C7H14O HIGGFWFRAWSMBR-UHFFFAOYSA-N +HMDB0061898 124.088815006 Methyl-1-cyclopenten-1-yl)-ethanone C8H12O HDURLXYBKGWETC-UHFFFAOYSA-N +HMDB0061903 112.125200512 (Z)-2-Octene C8H16 ILPBINAXDRFYPL-HYXAFXHYSA-N +HMDB0061904 112.125200512 (E)-2-Octene C8H16 ILPBINAXDRFYPL-UHFFFAOYSA-N +HMDB0061906 112.125200512 (E)-3-Octene C8H16 YCTDZYMMFQCTEO-FNORWQNLSA-N +HMDB0061907 112.125200512 3-Methyleneheptane C8H16 XTVRLCUJHGUXCP-UHFFFAOYSA-N +HMDB0061914 160.109944375 8-Hydroxyoctanoate C8H16O3 KDMSVYIHKLZKET-UHFFFAOYSA-N +HMDB0061916 134.036779436 Phenylglyoxal C8H6O2 OJUGVDODNPJEEC-UHFFFAOYSA-N +HMDB0061918 133.052763851 1,3-Dihydro-(2H)-indol-2-one C8H7NO JYGFTBXVXVMTGB-UHFFFAOYSA-N +HMDB0061923 190.172150704 1,3-Di-tert-butylbenzene C14H22 ILNDSSCEZZFNGE-UHFFFAOYSA-N +HMDB0061927 118.062994186 "5-Hydroxypentanoic acid" C5H10O3 PHOJOSOUIAQEDH-UHFFFAOYSA-N +HMDB0062119 186.161979948 "Hexyl valerate" C11H22O2 YERFHJZYNMRVLO-UHFFFAOYSA-N +HMDB0062121 196.073558872 "Hydroferulic acid" C10H12O4 BOLQJTPHPSDZHR-UHFFFAOYSA-N +HMDB0062251 89.047678473 "(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein)" C3H7NO2 QNAYBMKLOCPYGJ-UHFFFAOYSA-N +HMDB0062436 310.287180464 "9Z-Eicosenoic acid" C20H38O2 LQJBNNIYVWPHFW-QXMHVHEDSA-N +HMDB0062511 144.115029756 "octanoate radical" C8H16O2 WWZKQHOCKIZLMA-UHFFFAOYSA-N +HMDB0062541 496.339766404 1-palmitoylglycerophosphocholine C24H51NO7P ASWBNKHCZGQVJV-UHFFFAOYSA-O +HMDB0062544 384.160659796 "16a-hydroxy DHEA 3-sulfate" C19H28O6S ALBNSVAJDFJRKQ-UHFFFAOYSA-N +HMDB0062547 247.015058188 "2-Hydroxyacetaminophen sulfate" C8H9NO6S HRLQZTOIKWEZBN-UHFFFAOYSA-N +HMDB0062549 300.266445019 "2-Hydroxystearic acid" C18H36O3 KIHBGTRZFAVZRV-UHFFFAOYSA-N +HMDB0062550 261.030708252 "2-Methoxyacetaminophen sulfate" C9H11NO6S NZKKXAGORRATJB-UHFFFAOYSA-N +HMDB0062551 202.029979976 4-ethylphenylsulfate C8H10O4S DWZGLEPNCRFCEP-UHFFFAOYSA-N +HMDB0062555 261.157622845 "hydroxyisovaleroyl carnitine" C12H23NO5 DHRNMNHPSWBJEN-UHFFFAOYSA-N +HMDB0062557 161.068807845 N-Acetylthreonine C6H11NO4 PEDXUVCGOLSNLQ-WUJLRWPWSA-N +HMDB0062558 128.058577506 Pyroglutamine C5H8N2O2 NPWMTBZSRRLQNJ-UHFFFAOYSA-N +HMDB0062559 730.598875399 "stearoyl sphingomyelin" C41H83N2O6P LKQLRGMMMAHREN-YJFXYUILSA-N +HMDB0062562 138.042927441 Trans-urocanate C6H6N2O2 LOIYMIARKYCTBW-UHFFFAOYSA-N +HMDB0062579 328.24023027 (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate C22H32O2 MBMBGCFOFBJSGT-UHFFFAOYSA-N +HMDB0062583 179.058243159 N-benzoylglycinate C9H9NO3 QIAFMBKCNZACKA-UHFFFAOYSA-N +HMDB0062620 136.037173366 "L-threonic Acid" C4H8O5 JPIJQSOTBSSVTP-STHAYSLISA-N +HMDB0062651 521.348140016 2-oleoyl-sn-glycero-3-phosphocholine C26H52NO7P SULIDBRAXVDKBU-PTGWMXDISA-N +HMDB0062656 279.256214687 Linoleamide C18H33NO SFIHQZFZMWZOJV-HZJYTTRNSA-N +HMDB0062657 370.18139524 "Epiandrosterone sulfate" C19H30O5S ZMITXKRGXGRMKS-LUJOEAJASA-N +HMDB0062660 161.068807845 "N-methyl-L-glutamic Acid" C6H11NO4 XLBVNMSMFQMKEY-BYPYZUCNSA-N +HMDB0062665 704.583225334 N-hexadecanoylsphinganine-1-phosphocholine C39H81N2O6P QHZIGNLCLJPLCU-QPPIDDCLSA-N +HMDB0062690 785.593455181 1,2-dioleoyl-sn-glycero-3-phosphocholine C44H84NO8P SNKAWJBJQDLSFF-NVKMUCNASA-N +HMDB0062720 230.061280105 "Thymol Sulfate" C10H14O4S NODSEPOUFZPJEQ-UHFFFAOYSA-N +HMDB0062731 384.145992314 Dodecamethylpentasiloxane C12H36O4Si5 FBZANXDWQAVSTQ-UHFFFAOYSA-N +HMDB0062812 132.053492132 N-carbamoyl-beta-alaninate C4H8N2O3 JSJWCHRYRHKBBW-UHFFFAOYSA-N +HMDB0094646 249.136493476 "2-Pentanamido-3-phenylpropanoic acid" C14H19NO3 YXQLJEQFZUMUPB-UHFFFAOYSA-N +HMDB0094648 357.262756619 Leu-Leu-Leu C18H35N3O4 DNDWZFHLZVYOGF-UHFFFAOYSA-N +HMDB0094649 145.110278727 2-Aminoheptanoate C7H15NO2 RDFMDVXONNIGBC-UHFFFAOYSA-N +HMDB0094650 237.05719778 "5alpha-pregnan-3beta,20alpha-diol disulfate" C10H11N3O2S AVQNPDXTQNUWMO-UHFFFAOYSA-N +HMDB0094651 228.111007003 Pyroglutamylvaline C10H16N2O4 DTSWLLBBGHRXQH-XPUUQOCRSA-N +HMDB0094652 140.156500644 "2-Octene, 3,7-dimethyl-, (Z)-" C10H20 ADGIRGGMVLTMJM-BJMVGYQFSA-N +HMDB0094653 256.106330962 "Pyrimidine, 2,4- bis[(trimethylsilyl)oxy]-" C10H20N2O2Si2 FSBNTQRWSOTNEW-UHFFFAOYSA-N +HMDB0094654 172.146329884 "1-Methylethyl heptanoic acid" C10H20O2 RMQUEHVMCJEEOS-UHFFFAOYSA-N +HMDB0094656 188.141244504 2-Hydroxydecanoate C10H20O3 GHPVDCPCKSNJDR-UHFFFAOYSA-N +HMDB0094657 191.058243159 2-Oxindole-3-acetate C10H9NO3 ILGMGHZPXRDCCS-UHFFFAOYSA-N +HMDB0094658 198.107836374 "1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol" C11H18OS IFXHKNKBGMLXEH-MDZDMXLPSA-N +HMDB0094659 186.161979948 "1,1-Dimethylethyl heptanoic acid" C11H22O2 WLUUTGIJNRNHRF-UHFFFAOYSA-N +HMDB0094660 222.089208936 "Diethyl phthalic acid" C12H14O4 FLKPEMZONWLCSK-UHFFFAOYSA-N +HMDB0094661 176.120115135 1-Phenyl-2-hexanone C12H16O DYQAZJQDLPPHNB-UHFFFAOYSA-N +HMDB0094664 254.115833018 "1,2-Benzenediol bis(trimethylsilyl) ether" C12H22O2Si2 GEHYZCCVQVOFAF-UHFFFAOYSA-N +HMDB0094665 168.187800773 2,2,4,6,6-Pentamethyl-3-heptene C12H24 NBUMCEJRJRRLCA-CSKARUKUSA-N +HMDB0094666 168.187800773 "Nonyl cyclopropane" C12H24 DTLFSMAJSOYMCO-UHFFFAOYSA-N +HMDB0094667 168.187800773 "3-Methyl-2-undecene (Z)" C12H24 LKWKOLGLWOJMQP-XGICHPGQSA-N +HMDB0094668 230.170206612 "Trimethylsilyl nonanoic acid" C12H26O2Si ISTGUORKGWWKMI-UHFFFAOYSA-N +HMDB0094669 250.12050906 "Methyl neopentyl phthalic acid" C14H18O4 LJBHDCZOMUACDL-UHFFFAOYSA-N +HMDB0094670 190.172150708 1,4-Bis-(1,1-dimethylethyl)-benzene C14H22 OOWNNCMFKFBNOF-UHFFFAOYSA-N +HMDB0094671 226.193280077 "Heptyl cyclohexane carboxylic acid" C14H26O2 TXWXLLMVRVKQSO-UHFFFAOYSA-N +HMDB0094672 244.203844762 3-Hydroxymyristate C14H28O3 ATRNZOYKSNPPBF-UHFFFAOYSA-N +HMDB0094673 260.152477892 Cyclo(Leu-Phe) C15H20N2O2 QPDMOMIYLJMOQJ-STQMWFEESA-N +HMDB0094674 218.167065328 "N-Octyl phenyl ketone" C15H22O PFUPABFCHVRLLY-UHFFFAOYSA-N +HMDB0094675 309.158032183 "N,O-Bis- (trimethylsilyl)phenylalanine" C15H27NO2Si2 DWNFNBPPSFIIBG-UHFFFAOYSA-N +HMDB0094676 315.215806426 Val-Val-Val C15H29N3O4 LSLXWOCIIFUZCQ-UHFFFAOYSA-N +HMDB0094677 272.217156805 "Dodecanoic acid, trimethylsilyl ester" C15H32O2Si RHDZBWSXEZTMPK-UHFFFAOYSA-N +HMDB0094680 370.220282686 "Octaethylene glycol" C16H34O9 GLZWNFNQMJAZGY-UHFFFAOYSA-N +HMDB0094681 314.264106999 "Trimethylsilyl n-pentadecanoic acid" C18H38O2Si SHDTWSQDHLKGEO-UHFFFAOYSA-N +HMDB0094682 452.153860338 "5alpha-Androstan-3alpha,17beta-diol disulfate" C19H32O8S2 JHFAETDERBWUOO-KHOSGYARSA-N +HMDB0094683 342.295407127 "Trimethylsilyl heptadecanoic acid" C20H42O2Si KCEZRIREPDDPDI-UHFFFAOYSA-N +HMDB0094684 356.292659768 Monooleoylglycerol C21H40O4 RZRNAYUHWVFMIP-KTKRTIGZSA-N +HMDB0094685 346.287180464 "Hexadecyl Benzoic acid" C23H38O2 RAMRROOXFMYSNA-UHFFFAOYSA-N +HMDB0094686 384.342357321 "Eicosanoic acid, trimethylsilyl ester" C23H48O2Si AYSGFBVOWSXJCN-UHFFFAOYSA-N +HMDB0094687 425.350508997 Octadecenoylcarnitine C25H47NO4 YIGBMCKQXUEBKC-UHFFFAOYSA-N +HMDB0094688 524.371615113 1-Stearoylglycerophosphocholine C26H55NO7P ARQYPVZFUYHQFR-RUZDIDTESA-N +HMDB0094690 88.070826921 Tetramethylsilane C4H12Si CZDYPVPMEAXLPK-UHFFFAOYSA-N +HMDB0094691 84.021129369 "Furanone A" C4H4O2 RHDGNLCLDBVESU-UHFFFAOYSA-N +HMDB0094692 103.063328537 N-Methylalanine C4H9NO2 GDFAOVXKHJXLEI-VKHMYHEASA-N +HMDB0094693 103.063328537 3-Aminobutyrate C4H9NO2 OQEBBZSWEGYTPG-UHFFFAOYSA-N +HMDB0094694 150.05282343 beta-Arabinose C5H10O5 HMFHBZSHGGEWLO-KLVWXMOXSA-N +HMDB0094696 129.078978601 "N-Methyl proline" C6H11NO2 CWLQUGTUXBXTLF-YFKPBYRVSA-N +HMDB0094698 145.073893218 N-Propionylalanine C6H11NO3 INPGLFHHFHOGRM-BYPYZUCNSA-N +HMDB0094699 161.087205262 "Trimethylsilyl l-Alanine" C6H15NO2Si MNHNHHIHUYPXHP-YFKPBYRVSA-N +HMDB0094701 157.073893223 N-Acetylproline C7H11NO3 GNMSLDIYJOSUSW-LURJTMIESA-N +HMDB0094703 189.082119882 "Propanoic acid, 2-(methoxyimino)-, trimethylsilyl ester" C7H15NO3Si RDATZQIINHXKAG-SOFGYWHQSA-N +HMDB0094704 205.077264521 N-Propionylmethionine C8H15NO3S RBAAEQRITQHPJM-LURJTMIESA-N +HMDB0094705 112.125200515 6-Methyl-1-heptene C8H16 DFVOXRAAHOJJBN-UHFFFAOYSA-N +HMDB0094707 130.1357652 2-Propyl-1-pentanol C8H18O LASHFHLFDRTERB-UHFFFAOYSA-N +HMDB0094708 194.115423686 "Tetraethylene glycol" C8H18O5 UWHCKJMYHZGTIT-UHFFFAOYSA-N +HMDB0094710 246.019809216 "3-[3-(Sulfooxy)phenyl]propanoic acid" C9H10O6S IQWLPDPKVFZEOK-UHFFFAOYSA-N +HMDB0240219 282.255880332 "cis-Vaccenic acid" C18H34O2 UWHZIFQPPBDJPM-FPLPWBNLSA-N +HMDB0240252 371.085245751 "Salicyluric beta-D-glucuronide" C15H17NO10 OEPADIDIUZTYOX-QKZHPOIUSA-N +HMDB0240253 167.025228948 N-Acetyltaurine C4H9NO4S CXJAAWRLVGAKDV-UHFFFAOYSA-N