Mercurial > repos > fgiacomoni > downloader_bank_hmdb
view test-data/out03.tabular @ 0:7c9269bded0e draft
Init repository for [downloader_bank_hmdb]
| author | fgiacomoni |
|---|---|
| date | Tue, 14 Jan 2020 05:21:23 -0500 |
| parents | |
| children |
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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 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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 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