Mercurial > repos > fgiacomoni > downloader_bank_hmdb
diff test-data/out04.tabular @ 0:7c9269bded0e draft
Init repository for [downloader_bank_hmdb]
author | fgiacomoni |
---|---|
date | Tue, 14 Jan 2020 05:21:23 -0500 |
parents | |
children |
line wrap: on
line diff
--- /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 811.609105245 PC(18:2(9Z,12Z)/20:1(11Z)) C46H86NO8P OJHJKEBRZSDTTL-VHWCKNCUSA-N +BMDB08145 809.593455181 PC(18:2(9Z,12Z)/20:2(11Z,14Z)) C46H84NO8P ORELBRKCYWQHTL-JEHIXBSSSA-N +BMDB08146 807.577805117 PC(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)) C46H82NO8P SMIXWIPQRZURJV-GMLOEBGYSA-N +BMDB08147 805.562155053 PC(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) C46H80NO8P ZZSZQATYGVHNLZ-PUMLCSCDSA-N +BMDB08150 841.656055437 PC(18:2(9Z,12Z)/22:0) C48H92NO8P PEKXFIVBDJUQJI-QGXZLJJESA-N +BMDB08151 839.640405373 PC(18:2(9Z,12Z)/22:1(13Z)) C48H90NO8P JJWICPUXGFOAPG-PUXNAPJVSA-N +BMDB08163 727.515204861 PC(18:3(6Z,9Z,12Z)/14:0) C40H74NO8P UXEFXNOSLOCOLX-ZCHSEWAGSA-N +BMDB08166 755.546504989 PC(18:3(6Z,9Z,12Z)/16:0) C42H78NO8P MXPOYZQNXGPEDV-REAAISNBSA-N +BMDB08167 753.530854925 PC(18:3(6Z,9Z,12Z)/16:1(9Z)) C42H76NO8P LPHXBROJEZXFQN-HZZYYZCGSA-N +BMDB08168 783.577805117 PC(18:3(6Z,9Z,12Z)/18:0) C44H82NO8P HOOCTPAZCNJQPX-OJKLBMRPSA-N +BMDB08170 781.562155053 PC(18:3(6Z,9Z,12Z)/18:1(9Z)) C44H80NO8P NKQPOVROGSWLTO-NVPMBMBWSA-N +BMDB08171 779.546504989 PC(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) C44H78NO8P HBJOLTVTFPGCMX-XXDURKHJSA-N +BMDB08175 811.609105245 PC(18:3(6Z,9Z,12Z)/20:0) C46H86NO8P ZVIYLLGWTBXCIL-VNXCBJMSSA-N +BMDB08176 809.593455181 PC(18:3(6Z,9Z,12Z)/20:1(11Z)) C46H84NO8P SVOGSAQWUMDSCM-OJCVPQOYSA-N +BMDB08177 807.577805117 PC(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)) C46H82NO8P JEEMMQUVRFTVSG-AZITXYQXSA-N +BMDB08179 805.562155053 PC(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)) C46H80NO8P AHOMSZWEDIDNLL-SVXFTSFPSA-N +BMDB08183 839.640405373 PC(18:3(6Z,9Z,12Z)/22:0) C48H90NO8P URWUZTOLBMHCQL-WREMRUDSSA-N +BMDB08184 837.624755309 PC(18:3(6Z,9Z,12Z)/22:1(13Z)) C48H88NO8P KRZVEGHGJRMPEH-SXHNUEEOSA-N +BMDB08196 727.515204861 PC(18:3(9Z,12Z,15Z)/14:0) C40H74NO8P FJUVFXSFGYBNBR-XPTMXNASSA-N +BMDB08199 755.546504989 PC(18:3(9Z,12Z,15Z)/16:0) C42H78NO8P RAPKGPDUGWBPHR-QWFQJEORSA-N +BMDB08200 753.530854925 PC(18:3(9Z,12Z,15Z)/16:1(9Z)) C42H76NO8P QWIZBBFFDQPBKI-KBTBXKTRSA-N +BMDB08201 783.577805117 PC(18:3(9Z,12Z,15Z)/18:0) C44H82NO8P QAVRIJZWHPNXBW-BHLPDSGJSA-N +BMDB08203 781.562155053 PC(18:3(9Z,12Z,15Z)/18:1(9Z)) C44H80NO8P LPDGUCIMNBNWEJ-BXZVQSHESA-N +BMDB08204 779.546504989 PC(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) C44H78NO8P QFDYIDGUKXRPKH-VSLGLSMXSA-N +BMDB08208 811.609105245 PC(18:3(9Z,12Z,15Z)/20:0) C46H86NO8P CFHMUBPSPSTZCR-LITWNLNFSA-N +BMDB08209 809.593455181 PC(18:3(9Z,12Z,15Z)/20:1(11Z)) C46H84NO8P WAZYDHAWJWFGBD-LMJTUUMUSA-N +BMDB08210 807.577805117 PC(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)) C46H82NO8P WQYONUAQJUQROT-HTEBOPLQSA-N +BMDB08212 805.562155053 PC(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) C46H80NO8P WZLXKZRHVGVNTE-NYMMKBANSA-N +BMDB08216 839.640405373 PC(18:3(9Z,12Z,15Z)/22:0) C48H90NO8P GOHLCSOGBDQPMM-NOAWTOFZSA-N +BMDB08217 837.624755309 PC(18:3(9Z,12Z,15Z)/22:1(13Z)) C48H88NO8P ZIQIWGNSQBOJMS-JUGJLYODSA-N +BMDB08232 753.530854925 PC(18:4(6Z,9Z,12Z,15Z)/16:0) C42H76NO8P YWDDIWXKFJEMKF-JTZVLWBESA-N +BMDB08234 781.562155053 PC(18:4(6Z,9Z,12Z,15Z)/18:0) C44H80NO8P MGPSPRHJNJDBJK-TXLPWOKVSA-N +BMDB08236 779.546504989 PC(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)) C44H78NO8P SQOJMBITSSDGAU-MAFUUHOFSA-N +BMDB08241 809.593455181 PC(18:4(6Z,9Z,12Z,15Z)/20:0) C46H84NO8P HGTVFXGQQZVIJK-BCHSVXNCSA-N +BMDB08242 807.577805117 PC(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)) C46H82NO8P WJGXHQGSFRJRJR-JQMRBUEGSA-N +BMDB08243 805.562155053 PC(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) C46H80NO8P RJBUKRKXNJFIDS-MXQFTRAWSA-N +BMDB08249 837.624755309 PC(18:4(6Z,9Z,12Z,15Z)/22:0) C48H88NO8P KISSKTFZLUEROR-MNPIPRPGSA-N +BMDB08262 761.593455181 PC(20:0/14:0) C42H84NO8P GNUQJONGMHMBKN-RRHRGVEJSA-N +BMDB08263 759.577805117 PC(20:0/14:1(9Z)) C42H82NO8P HUTFJQFEXOTHFG-LLVYEJTBSA-N +BMDB08264 775.609105245 PC(20:0/15:0) C43H86NO8P RMPXTQDWTSBVHI-VQJSHJPSSA-N +BMDB08265 789.624755309 PC(20:0/16:0) C44H88NO8P JJSZXCSTFDBBBZ-HUESYALOSA-N +BMDB08266 787.609105245 PC(20:0/16:1(9Z)) C44H86NO8P VIOCEOKULYHXNJ-HTDYWKJCSA-N +BMDB08270 813.624755309 PC(20:0/18:2(9Z,12Z)) C46H88NO8P KXXLFCAPKGRXBT-FMJYHZMHSA-N +BMDB08271 811.609105245 PC(20:0/18:3(6Z,9Z,12Z)) C46H86NO8P DLZPSAPMHALIOA-YNCVDBFYSA-N +BMDB08272 811.609105245 PC(20:0/18:3(9Z,12Z,15Z)) C46H86NO8P ZDCCXTFOQDDLSE-LITWNLNFSA-N +BMDB08273 809.593455181 PC(20:0/18:4(6Z,9Z,12Z,15Z)) C46H84NO8P UELRKDJVEHFVAI-QZOXBMLCSA-N +BMDB08276 841.656055437 PC(20:0/20:2(11Z,14Z)) C48H92NO8P DGKXFLANAYRYMU-BYZVZMPQSA-N +BMDB08278 839.640405373 PC(20:0/20:3(8Z,11Z,14Z)) C48H90NO8P BRHVVSCMXSBYAI-XXXCGRBJSA-N +BMDB08279 837.624755309 PC(20:0/20:4(5Z,8Z,11Z,14Z)) C48H88NO8P UAVRPIXHIHJERN-CBTSKTMBSA-N +BMDB08290 899.734305757 PC(20:0/24:1(15Z)) C52H102NO8P JAMSDVDUWQNQFZ-QNQJCTKXSA-N +BMDB08295 759.577805117 PC(20:1(11Z)/14:0) C42H82NO8P WSBNPWBHAOQZJF-OIJJMQLXSA-N +BMDB08296 757.562155053 PC(20:1(11Z)/14:1(9Z)) C42H80NO8P FMLFVZOURBVUJL-LYJZGNKWSA-N +BMDB08297 773.593455181 PC(20:1(11Z)/15:0) C43H84NO8P VATZLDBYQIOABD-HFWGUVFESA-N +BMDB08298 787.609105245 PC(20:1(11Z)/16:0) C44H86NO8P RLIWKVWRUOJIHW-NYJULOOZSA-N +BMDB08299 785.593455181 PC(20:1(11Z)/16:1(9Z)) C44H84NO8P NZMJAZKGUFCMTN-NPCYKUJHSA-N +BMDB08302 813.624755309 PC(20:1(11Z)/18:1(9Z)) C46H88NO8P QLEJPADMSQQACL-WWUFLCHTSA-N +BMDB08303 811.609105245 PC(20:1(11Z)/18:2(9Z,12Z)) C46H86NO8P KJDCENXZHMAYTN-VHWCKNCUSA-N +BMDB08304 809.593455181 PC(20:1(11Z)/18:3(6Z,9Z,12Z)) C46H84NO8P FHOBLZOUZRDCHR-VSYNYFESSA-N +BMDB08305 809.593455181 PC(20:1(11Z)/18:3(9Z,12Z,15Z)) C46H84NO8P NOWQIXJSMOBJLS-LMJTUUMUSA-N +BMDB08306 807.577805117 PC(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C46H82NO8P YDPVXGLBOPTMBY-SNMLGIRPSA-N +BMDB08308 841.656055437 PC(20:1(11Z)/20:1(11Z)) C48H92NO8P AEUCYCQYAUFAKH-DITNKEBASA-N +BMDB08309 839.640405373 PC(20:1(11Z)/20:2(11Z,14Z)) C48H90NO8P ZGKPOUQXLZVCDF-GPPISGLTSA-N +BMDB08311 837.624755309 PC(20:1(11Z)/20:3(8Z,11Z,14Z)) C48H88NO8P QLESDNGWICTNRJ-ONITYOGDSA-N +BMDB08328 757.562155053 PC(20:2(11Z,14Z)/14:0) C42H80NO8P JFWZYNWHJJSDAY-YBLKGUNISA-N +BMDB08329 755.546504989 PC(20:2(11Z,14Z)/14:1(9Z)) C42H78NO8P MYWHURBVYAKZKD-FRPVHTQQSA-N +BMDB08330 771.577805117 PC(20:2(11Z,14Z)/15:0) C43H82NO8P LNGBVAOHJZCRIL-GPDPEMMZSA-N +BMDB08331 785.593455181 PC(20:2(11Z,14Z)/16:0) C44H84NO8P JCABAGPMEUGRDK-UXSLIEDSSA-N +BMDB08332 783.577805117 PC(20:2(11Z,14Z)/16:1(9Z)) C44H82NO8P VPDVXUMWNZFISL-ZAEMQJNLSA-N +BMDB08333 813.624755309 PC(20:2(11Z,14Z)/18:0) C46H88NO8P BRSRLMBMUIZSFE-UHKGRJRRSA-N +BMDB08335 811.609105245 PC(20:2(11Z,14Z)/18:1(9Z)) C46H86NO8P YULWBFNKMAKVNZ-UETRTARBSA-N +BMDB08336 809.593455181 PC(20:2(11Z,14Z)/18:2(9Z,12Z)) C46H84NO8P ZPAYLLVKQCNXOK-JEHIXBSSSA-N +BMDB08337 807.577805117 PC(20:2(11Z,14Z)/18:3(6Z,9Z,12Z)) C46H82NO8P WTLVSDIWQGLEAN-MFMUPFOOSA-N +BMDB08338 807.577805117 PC(20:2(11Z,14Z)/18:3(9Z,12Z,15Z)) C46H82NO8P ZWBUMNLEWHYPRH-HTEBOPLQSA-N +BMDB08339 805.562155053 PC(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) C46H80NO8P DMULDNPMYQMFAE-YCAHXJLUSA-N +BMDB08340 841.656055437 PC(20:2(11Z,14Z)/20:0) C48H92NO8P BVDPROLNIRIVET-SZAAGBBJSA-N +BMDB08341 839.640405373 PC(20:2(11Z,14Z)/20:1(11Z)) C48H90NO8P VSWBEFJQWZEWPT-KWPMQJQMSA-N +BMDB08342 837.624755309 PC(20:2(11Z,14Z)/20:2(11Z,14Z)) C48H88NO8P AAYOXXRTLLISDA-RCXGQNHQSA-N +BMDB08394 755.546504989 PC(20:3(8Z,11Z,14Z)/14:0) C42H78NO8P VKVSSDKCKXJFIM-AFYHZPHLSA-N +BMDB08395 753.530854925 PC(20:3(8Z,11Z,14Z)/14:1(9Z)) C42H76NO8P UGOXZVQDVQJYIN-PCBJBAEXSA-N +BMDB08396 769.562155053 PC(20:3(8Z,11Z,14Z)/15:0) C43H80NO8P PBYSSMVZTSQJLK-XWIBIVISSA-N +BMDB08397 783.577805117 PC(20:3(8Z,11Z,14Z)/16:0) C44H82NO8P YKSVDDIMSQYNID-YYQUKWHJSA-N +BMDB08398 781.562155053 PC(20:3(8Z,11Z,14Z)/16:1(9Z)) C44H80NO8P SMNBWWUNQGASFC-MLQXCARSSA-N +BMDB08399 811.609105245 PC(20:3(8Z,11Z,14Z)/18:0) C46H86NO8P UTVPIFAQLMVRBR-DXLHFBPTSA-N +BMDB08401 809.593455181 PC(20:3(8Z,11Z,14Z)/18:1(9Z)) C46H84NO8P SLKDYSINLYWLQQ-IGMUWBMCSA-N +BMDB08402 807.577805117 PC(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) C46H82NO8P SUACBSWYGWBPFC-GPUJSUHJSA-N +BMDB08403 805.562155053 PC(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) C46H80NO8P RIDIYDAFPMEWTP-AFNUAFPGSA-N +BMDB08404 805.562155053 PC(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) C46H80NO8P ONHNZXQSGXKTJD-FKOQMNRQSA-N +BMDB08406 839.640405373 PC(20:3(8Z,11Z,14Z)/20:0) C48H90NO8P NMVCKDUPYAOXCG-XGEOKNOUSA-N +BMDB08426 753.530854925 PC(20:4(5Z,8Z,11Z,14Z)/14:0) C42H76NO8P KMZWZYBLPBQHMP-PVHGPNMRSA-N +BMDB08429 781.562155053 PC(20:4(5Z,8Z,11Z,14Z)/16:0) C44H80NO8P PUDHBQQGURLBGJ-IVFHWKNFSA-N +BMDB08430 779.546504989 PC(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) C44H78NO8P KKRYRHYMXROGPM-SOVKMKKSSA-N +BMDB08431 809.593455181 PC(20:4(5Z,8Z,11Z,14Z)/18:0) C46H84NO8P DNYKSJQVBCVGOF-LCKGXUDJSA-N +BMDB08433 807.577805117 PC(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) C46H82NO8P PJAVLQZDHFXHPI-IHBLHBMHSA-N +BMDB08434 805.562155053 PC(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)) C46H80NO8P PLZBTDKJYHXIEW-DZUXOTHRSA-N +BMDB08438 837.624755309 PC(20:4(5Z,8Z,11Z,14Z)/20:0) C48H88NO8P DXCCGBCVYMELBT-NDJZOZGISA-N +BMDB08495 779.546504989 PC(20:5(5Z,8Z,11Z,14Z,17Z)/16:0) C44H78NO8P SUZYROYNFNQALJ-MHEIZRSESA-N +BMDB08497 807.577805117 PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:0) C46H82NO8P 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