{"metaboliteNames":"alpha-Chaconine","FOBI":"FOBI:030714","KEGG":"C10796","PubChemCID":"442971","InChIKey":"TYNQWWGVEGFKRU-AJDPQWBVSA-N","InChICode":"InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1","ChemSpider":"391274"}
{"metaboliteNames":"beta-cryptoxanthin","FOBI":"FOBI:030754","KEGG":"C08591","PubChemCID":"5281235","InChIKey":"DMASLKHVQRHNES-FKKUPVFPSA-N","InChICode":"InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1","ChemSpider":"4444647"}
{"metaboliteNames":"(S)-carnitine","FOBI":"FOBI:030706","HMDB":"HMDB00062","KEGG":"C15025","PubChemCID":"2724480","InChIKey":"PHIQHXFUZVPYII-LURJTMIESA-N","InChICode":"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1","ChemSpider":"2006614"}
{"metaboliteNames":"3-(3-hydroxyphenyl)propanoic acid","FOBI":"FOBI:030415","HMDB":"HMDB00375","KEGG":"C11457","PubChemCID":"91","InChIKey":"QVWAEZJXDYOKEH-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)","ChemSpider":"89"}
{"metaboliteNames":"(+)-catechin","FOBI":"FOBI:030460","HMDB":"HMDB02780","KEGG":"C06562","PubChemCID":"9064","InChIKey":"PFTAWBLQPZVEMU-DZGCQCFKSA-N","InChICode":"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1"}
{"metaboliteNames":"L-tartaric acid","FOBI":"FOBI:030630","HMDB":"HMDB00956","KEGG":"C00898","PubChemCID":"444305","InChIKey":"FEWJPZIEWOKRBE-JCYAYHJZSA-N","InChICode":"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1"}
{"metaboliteNames":"trimethylamine N-oxide","FOBI":"FOBI:030711","HMDB":"HMDB00925","KEGG":"C01104","PubChemCID":"1145","InChIKey":"UYPYRKYUKCHHIB-UHFFFAOYSA-N","InChICode":"InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3","ChemSpider":"1113"}
{"metaboliteNames":"carnosine","FOBI":"FOBI:030687","HMDB":"HMDB00033","KEGG":"C00386","PubChemCID":"439224","InChIKey":"CQOVPNPJLQNMDC-ZETCQYMHSA-N","InChICode":"InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1","ChemSpider":"388363"}
{"metaboliteNames":"N-methylpyridinium","FOBI":"FOBI:030713","KEGG":"C02724","PubChemCID":"13597","InChIKey":"PQBAWAQIRZIWIV-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1","ChemSpider":"11374613"}
{"metaboliteNames":"luteolin","FOBI":"FOBI:030555","HMDB":"HMDB05800","KEGG":"C01514","PubChemCID":"5280445","InChIKey":"IQPNAANSBPBGFQ-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H","ChemSpider":"4444102"}
{"metaboliteNames":"taurine","FOBI":"FOBI:030709","HMDB":"HMDB00251","KEGG":"C00245","PubChemCID":"1123","InChIKey":"XOAAWQZATWQOTB-UHFFFAOYSA-N","InChICode":"InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)","ChemSpider":"10675782"}
{"metaboliteNames":"lycopene","FOBI":"FOBI:030748","HMDB":"HMDB03000","KEGG":"C05432","PubChemCID":"446925","InChIKey":"OAIJSZIZWZSQBC-GYZMGTAESA-N","InChICode":"InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+","ChemSpider":"394156"}
{"metaboliteNames":"cyclohexylsulfamic acid","FOBI":"FOBI:030625","KEGG":"C02824","PubChemCID":"7533","InChIKey":"HCAJEUSONLESMK-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)","ChemSpider":"15484224"}
{"metaboliteNames":"chlorogenic acid","FOBI":"FOBI:030397","HMDB":"HMDB03164","KEGG":"C00852","PubChemCID":"1794427","InChIKey":"CWVRJTMFETXNAD-JUHZACGLSA-N","InChICode":"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1","ChemSpider":"1405788"}
{"metaboliteNames":"pyrogallol","FOBI":"FOBI:030432","KEGG":"C01108","PubChemCID":"1057","InChIKey":"WQGWDDDVZFFDIG-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H","ChemSpider":"13760300"}
{"metaboliteNames":"oleic acid","FOBI":"FOBI:030741","HMDB":"HMDB00207","KEGG":"C00712","PubChemCID":"445639","InChIKey":"ZQPPMHVWECSIRJ-KTKRTIGZSA-N","InChICode":"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-"}
{"metaboliteNames":"3-hydroxybenzaldehyde","FOBI":"FOBI:030453","KEGG":"C03067","PubChemCID":"101","InChIKey":"IAVREABSGIHHMO-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H"}
{"metaboliteNames":"quercetin","FOBI":"FOBI:030558","HMDB":"HMDB05794","KEGG":"C00389","PubChemCID":"5280343","InChIKey":"REFJWTPEDVJJIY-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H","ChemSpider":"15139441"}
{"metaboliteNames":"phytanic acid","FOBI":"FOBI:08823","HMDB":"HMDB00801","KEGG":"C01607","PubChemCID":"26840","InChIKey":"RLCKHJSFHOZMDR-UHFFFAOYSA-N","InChICode":"InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)","ChemSpider":"25001"}
{"metaboliteNames":"trans-5-O-caffeoyl-D-quinic acid","FOBI":"FOBI:030399","KEGG":"C17147","PubChemCID":"5280633","InChIKey":"CWVRJTMFETXNAD-NXLLHMKUSA-N","InChICode":"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1","ChemSpider":"4444237"}
{"metaboliteNames":"indole-3-acetic acid","FOBI":"FOBI:030704","HMDB":"HMDB00197","KEGG":"C00954","PubChemCID":"802","InChIKey":"SEOVTRFCIGRIMH-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)","ChemSpider":"780"}
{"metaboliteNames":"DIMBOA glucoside","FOBI":"FOBI:030737","KEGG":"C04831","PubChemCID":"11132470","InChIKey":"WTGXAWKVZMQEDA-XGHDNVSXSA-N","InChICode":"InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15?/m1/s1","ChemSpider":"9307589"}
{"metaboliteNames":"creatinine","FOBI":"FOBI:030708","HMDB":"HMDB00562","KEGG":"C00791","PubChemCID":"588","InChIKey":"DDRJAANPRJIHGJ-UHFFFAOYSA-N","InChICode":"InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)","ChemSpider":"13325157"}
{"metaboliteNames":"L-tryptophan","FOBI":"FOBI:030701","HMDB":"HMDB00929","KEGG":"C00078","PubChemCID":"6305","InChIKey":"QIVBCDIJIAJPQS-VIFPVBQESA-N","InChICode":"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1"}
{"metaboliteNames":"salicylic acid","FOBI":"FOBI:030318","HMDB":"HMDB01895","KEGG":"C00805","PubChemCID":"338","InChIKey":"YGSDEFSMJLZEOE-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)","ChemSpider":"14879126"}
{"metaboliteNames":"beta-alanine","FOBI":"FOBI:030691","HMDB":"HMDB00056","KEGG":"C00099","PubChemCID":"239","InChIKey":"UCMIRNVEIXFBKS-UHFFFAOYSA-N","InChICode":"InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)","ChemSpider":"16382018"}
{"metaboliteNames":"4-methylcatechol","FOBI":"FOBI:030447","HMDB":"HMDB00873","KEGG":"C06730","PubChemCID":"9958","InChIKey":"ZBCATMYQYDCTIZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3","ChemSpider":"13200746"}
{"metaboliteNames":"phloretin","FOBI":"FOBI:030568","HMDB":"HMDB03306","KEGG":"C00774","PubChemCID":"4788","InChIKey":"VGEREEWJJVICBM-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2"}
{"metaboliteNames":"L-phenylalanine","FOBI":"FOBI:030692","HMDB":"HMDB00159","KEGG":"C00079","PubChemCID":"6140","InChIKey":"COLNVLDHVKWLRT-QMMMGPOBSA-N","InChICode":"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1"}
{"metaboliteNames":"bergaptol","FOBI":"FOBI:030523","KEGG":"C00758","PubChemCID":"5280371","InChIKey":"GIJHDGJRTUSBJR-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H","ChemSpider":"4444066"}
{"metaboliteNames":"3-(4-hydroxyphenyl)lactic acid","FOBI":"FOBI:030694","HMDB":"HMDB00755","KEGG":"C03672","PubChemCID":"9378","InChIKey":"JVGVDSSUAVXRDY-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)"}
{"metaboliteNames":"cis-caffeic acid","FOBI":"FOBI:030392","HMDB":"HMDB01964","PubChemCID":"1549111","InChIKey":"QAIPRVGONGVQAS-RQOWECAXSA-N","InChICode":"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2-","ChemSpider":"1266077"}
{"metaboliteNames":"cyanocob(III)alamin","FOBI":"FOBI:030744","HMDB":"HMDB0000607","KEGG":"C02823","PubChemCID":"129627537","InChIKey":"FDJOLVPMNUYSCM-WZHZPDAFSA-L","InChICode":"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1"}
{"metaboliteNames":"3-hydroxyphenylacetic acid","FOBI":"FOBI:030369","HMDB":"HMDB00440","KEGG":"C05593","PubChemCID":"12122","InChIKey":"FVMDYYGIDFPZAX-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)","ChemSpider":"16253543"}
{"metaboliteNames":"biochanin A","FOBI":"FOBI:030547","HMDB":"HMDB02338","KEGG":"C00814","PubChemCID":"5280373","InChIKey":"WUADCCWRTIWANL-UHFFFAOYSA-N","InChICode":"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3","ChemSpider":"4444068"}
{"metaboliteNames":"beta-carotene","FOBI":"FOBI:030747","HMDB":"HMDB00561","KEGG":"C02094","PubChemCID":"5280489","InChIKey":"OENHQHLEOONYIE-JLTXGRSLSA-N","InChICode":"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+","ChemSpider":"4444129"}
{"metaboliteNames":"4-hydroxybenzaldehyde","FOBI":"FOBI:030454","HMDB":"HMDB11718","KEGG":"C00633","PubChemCID":"126","InChIKey":"RGHHSNMVTDWUBI-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H","ChemSpider":"123"}
{"metaboliteNames":"ferulic acid","FOBI":"FOBI:030406","HMDB":"HMDB00954","KEGG":"C01494","PubChemCID":"445858","InChIKey":"KSEBMYQBYZTDHS-HWKANZROSA-N","InChICode":"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+","ChemSpider":"393368"}
{"metaboliteNames":"N-feruloylglycine","FOBI":"FOBI:030674","KEGG":"C02564","PubChemCID":"5280527","InChIKey":"CLGNQAIRBLDHIN-HWKANZROSA-N","InChICode":"InChI=1S/C12H13NO5/c1-18-10-6-8(2-4-9(10)14)3-5-11(15)13-7-12(16)17/h2-6,14H,7H2,1H3,(H,13,15)(H,16,17)/b5-3+","ChemSpider":"4444158"}
{"metaboliteNames":"(S)-naringenin","FOBI":"FOBI:030514","HMDB":"HMDB02670","KEGG":"C00509","PubChemCID":"439246","InChIKey":"FTVWIRXFELQLPI-ZDUSSCGKSA-N","InChICode":"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1","ChemSpider":"388383"}
{"metaboliteNames":"p-cresol","FOBI":"FOBI:030698","HMDB":"HMDB01858","KEGG":"C01468","PubChemCID":"2879","InChIKey":"IWDCLRJOBJJRNH-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3","ChemSpider":"13285340"}
{"metaboliteNames":"N(2)-phenylacetyl-L-glutamine","FOBI":"FOBI:030696","HMDB":"HMDB06344","KEGG":"C04148","PubChemCID":"92258","InChIKey":"JFLIEFSWGNOPJJ-JTQLQIEISA-N","InChICode":"InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1","ChemSpider":"83292"}
{"metaboliteNames":"L-tyrosine","FOBI":"FOBI:030697","HMDB":"HMDB00158","KEGG":"C00082","PubChemCID":"6057","InChIKey":"OUYCCCASQSFEME-QMMMGPOBSA-N","InChICode":"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1"}
{"metaboliteNames":"sucrose","FOBI":"FOBI:030757","HMDB":"HMDB00258","KEGG":"C00089","PubChemCID":"5988","InChIKey":"CZMRCDWAGMRECN-UGDNZRGBSA-N","InChICode":"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1"}
{"metaboliteNames":"DIMBOA","FOBI":"FOBI:030736","KEGG":"C04720","PubChemCID":"2358","InChIKey":"GDNZNIJPBQATCZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3"}
{"metaboliteNames":"formononetin","FOBI":"FOBI:030550","HMDB":"HMDB05808","KEGG":"C00858","PubChemCID":"5280378","InChIKey":"HKQYGTCOTHHOMP-UHFFFAOYSA-N","InChICode":"InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3","ChemSpider":"4444070"}
{"metaboliteNames":"N-benzoylglycine","FOBI":"FOBI:030340","HMDB":"HMDB00714","KEGG":"C01586","PubChemCID":"464","InChIKey":"QIAFMBKCNZACKA-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)","ChemSpider":"10658403"}
{"metaboliteNames":"trans-4-hydroxy-L-proline","FOBI":"FOBI:08828","HMDB":"HMDB00725","KEGG":"C01157","PubChemCID":"5810","InChIKey":"PMMYEEVYMWASQN-DMTCNVIQSA-N","InChICode":"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1"}
{"metaboliteNames":"4-hydroxyphenylacetic acid","FOBI":"FOBI:030370","HMDB":"HMDB00020","KEGG":"C00642","PubChemCID":"127","InChIKey":"XQXPVVBIMDBYFF-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)","ChemSpider":"124"}
{"metaboliteNames":"2-aminophenol","FOBI":"FOBI:030671","KEGG":"C01987","PubChemCID":"5801","InChIKey":"CDAWCLOXVUBKRW-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2","ChemSpider":"11613535"}
{"metaboliteNames":"N-methylnicotinate","FOBI":"FOBI:030712","HMDB":"HMDB00875","KEGG":"C01004","PubChemCID":"5570","InChIKey":"WWNNZCOKKKDOPX-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3"}
{"metaboliteNames":"trans-2-coumaric acid","FOBI":"FOBI:030383","HMDB":"HMDB02641","KEGG":"C01772","PubChemCID":"637540","InChIKey":"PMOWTIHVNWZYFI-AATRIKPKSA-N","InChICode":"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+","ChemSpider":"553146"}
{"metaboliteNames":"catechol","FOBI":"FOBI:030444","HMDB":"HMDB00957","KEGG":"C00090","PubChemCID":"289","InChIKey":"YCIMNLLNPGFGHC-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H","ChemSpider":"11181185"}
{"metaboliteNames":"anserine","FOBI":"FOBI:030688","HMDB":"HMDB00194","KEGG":"C01262","PubChemCID":"112072","InChIKey":"MYYIAHXIVFADCU-QMMMGPOBSA-N","InChICode":"InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1"}
{"metaboliteNames":"vanillin","FOBI":"FOBI:030457","HMDB":"HMDB12308","KEGG":"C00755","PubChemCID":"1183","InChIKey":"MWOOGOJBHIARFG-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3","ChemSpider":"13860434"}
{"metaboliteNames":"apigenin","FOBI":"FOBI:030553","HMDB":"HMDB02124","KEGG":"C01477","PubChemCID":"5280443","InChIKey":"KZNIFHPLKGYRTM-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","ChemSpider":"4444100"}
{"metaboliteNames":"2-(4-hydroxyphenyl)ethanol","FOBI":"FOBI:030579","HMDB":"HMDB04284","KEGG":"C06044","PubChemCID":"10393","InChIKey":"YCCILVSKPBXVIP-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2"}
{"metaboliteNames":"4-methylumbelliferone beta-D-glucuronide","FOBI":"FOBI:030528","KEGG":"C11584","PubChemCID":"91553","InChIKey":"ARQXEQLMMNGFDU-JHZZJYKESA-N","InChICode":"InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1","ChemSpider":"82667"}
{"metaboliteNames":"4-methylumbelliferone sulfate","FOBI":"FOBI:030529","KEGG":"C11585","PubChemCID":"84843","InChIKey":"FUYLLJCBCKRIAL-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14)","ChemSpider":"76536"}
{"metaboliteNames":"cardol","FOBI":"FOBI:030718","KEGG":"C10809","PubChemCID":"76617","InChIKey":"KVVSCMOUFCNCGX-UHFFFAOYSA-N","InChICode":"InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3","ChemSpider":"69081"}
{"metaboliteNames":"1,7-dimethylxanthine","FOBI":"FOBI:030655","HMDB":"HMDB01860","KEGG":"C13747","PubChemCID":"4687","InChIKey":"QUNWUDVFRNGTCO-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)"}
{"metaboliteNames":"3-phenyllactic acid","FOBI":"FOBI:030693","HMDB":"HMDB00779","PubChemCID":"3848","InChIKey":"VOXXWSYKYCBWHO-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)"}
{"metaboliteNames":"alpha-linolenic acid","FOBI":"FOBI:030740","HMDB":"HMDB01388","KEGG":"C06427","PubChemCID":"5280934","InChIKey":"DTOSIQBPPRVQHS-PDBXOOCHSA-N","InChICode":"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-","ChemSpider":"4444437"}
{"metaboliteNames":"phenylacetylglycine","FOBI":"FOBI:030695","HMDB":"HMDB00821","KEGG":"C05598","PubChemCID":"68144","InChIKey":"UTYVDVLMYQPLQB-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)","ChemSpider":"61452"}
{"metaboliteNames":"zeaxanthin","FOBI":"FOBI:030750","HMDB":"HMDB02789","KEGG":"C06098","PubChemCID":"5280899","InChIKey":"JKQXZKUSFCKOGQ-QAYBQHTQSA-N","InChICode":"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1","ChemSpider":"4444421"}
{"metaboliteNames":"N(pros)-methyl-L-histidine","FOBI":"FOBI:030690","HMDB":"HMDB00479","KEGG":"C01152","PubChemCID":"64969","InChIKey":"JDHILDINMRGULE-LURJTMIESA-N","InChICode":"InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1","ChemSpider":"58494"}
{"metaboliteNames":"caffeine","FOBI":"FOBI:030658","HMDB":"HMDB01847","KEGG":"C07481","PubChemCID":"2519","InChIKey":"RYYVLZVUVIJVGH-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3"}
{"metaboliteNames":"isoferulic acid","FOBI":"FOBI:030407","HMDB":"HMDB00955","KEGG":"C10470","PubChemCID":"736186","InChIKey":"QURCVMIEKCOAJU-HWKANZROSA-N","InChICode":"InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+","ChemSpider":"643318"}
{"metaboliteNames":"(5-hydroxyindol-3-yl)acetic acid","FOBI":"FOBI:030705","HMDB":"HMDB00763","KEGG":"C05635","PubChemCID":"1826","InChIKey":"DUUGKQCEGZLZNO-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)"}
{"metaboliteNames":"resveratrol","FOBI":"FOBI:030590","HMDB":"HMDB03747","KEGG":"C03582","PubChemCID":"445154","InChIKey":"LUKBXSAWLPMMSZ-OWOJBTEDSA-N","InChICode":"InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+","ChemSpider":"392875"}
{"metaboliteNames":"elaidic acid","FOBI":"FOBI:08824","KEGG":"C01712","PubChemCID":"637517","InChIKey":"ZQPPMHVWECSIRJ-MDZDMXLPSA-N","InChICode":"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+","ChemSpider":"14881358"}
{"metaboliteNames":"genistein","FOBI":"FOBI:030537","HMDB":"HMDB03217","KEGG":"C06563","PubChemCID":"5280961","InChIKey":"TZBJGXHYKVUXJN-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H","ChemSpider":"4444448"}
{"metaboliteNames":"all-cis-docosa-4,7,10,13,16,19-hexaenoic acid","FOBI":"FOBI:030743","HMDB":"HMDB02183","KEGG":"C06429","PubChemCID":"445580","InChIKey":"MBMBGCFOFBJSGT-KUBAVDMBSA-N","InChICode":"InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-"}
{"metaboliteNames":"theophylline","FOBI":"FOBI:030656","HMDB":"HMDB01889","KEGG":"C07130","PubChemCID":"2153","InChIKey":"ZFXYFBGIUFBOJW-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)"}
{"metaboliteNames":"daidzein","FOBI":"FOBI:030530","HMDB":"HMDB03312","KEGG":"C10208","PubChemCID":"5281708","InChIKey":"ZQSIJRDFPHDXIC-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H","ChemSpider":"4445025"}
{"metaboliteNames":"all-cis-5,8,11,14,17-icosapentaenoic acid","FOBI":"FOBI:030742","HMDB":"HMDB01999","KEGG":"C06428","PubChemCID":"446284","InChIKey":"JAZBEHYOTPTENJ-JLNKQSITSA-N","InChICode":"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-"}
{"metaboliteNames":"solanidine","FOBI":"FOBI:030716","HMDB":"HMDB03236","KEGG":"C06543","PubChemCID":"65727","InChIKey":"JVKYZPBMZPJNAJ-OQFNDJACSA-N","InChICode":"InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1","ChemSpider":"59150"}
{"metaboliteNames":"(2-hydroxyphenyl)acetic acid","FOBI":"FOBI:030368","HMDB":"HMDB00669","KEGG":"C05852","PubChemCID":"11970","InChIKey":"CCVYRRGZDBSHFU-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)","ChemSpider":"14600741"}
{"metaboliteNames":"kaempferol","FOBI":"FOBI:030565","HMDB":"HMDB05801","KEGG":"C05903","PubChemCID":"5280863","InChIKey":"IYRMWMYZSQPJKC-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H","ChemSpider":"4444395"}
{"metaboliteNames":"guaiacol","FOBI":"FOBI:030452","HMDB":"HMDB01398","KEGG":"C01502","PubChemCID":"460","InChIKey":"LHGVFZTZFXWLCP-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3","ChemSpider":"10658433"}
{"metaboliteNames":"3-O-methylgallic acid","FOBI":"FOBI:030358","KEGG":"C05616","PubChemCID":"19829","InChIKey":"KWCCUYSXAYTNKA-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)"}
{"metaboliteNames":"fructose","FOBI":"FOBI:030759","HMDB":"HMDB00660","KEGG":"C02336","PubChemCID":"439709","InChIKey":"RFSUNEUAIZKAJO-ARQDHWQXSA-N","InChICode":"InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1","ChemSpider":"388775"}
{"metaboliteNames":"theobromine","FOBI":"FOBI:030657","HMDB":"HMDB02825","KEGG":"C07480","PubChemCID":"5429","InChIKey":"YAPQBXQYLJRXSA-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)","ChemSpider":"11181178"}
{"metaboliteNames":"4-hydroxybenzoic acid","FOBI":"FOBI:030320","HMDB":"HMDB00500","KEGG":"C00156","PubChemCID":"135","InChIKey":"FJKROLUGYXJWQN-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)","ChemSpider":"10732368"}
{"metaboliteNames":"3-hydroxybenzoic acid","FOBI":"FOBI:030319","HMDB":"HMDB02466","KEGG":"C00587","PubChemCID":"7420","InChIKey":"IJFXRHURBJZNAO-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)","ChemSpider":"16308565"}
{"metaboliteNames":"citric acid","FOBI":"FOBI:030631","HMDB":"HMDB00094","KEGG":"C00158","PubChemCID":"19782904","InChIKey":"KRKNYBCHXYNGOX-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)","ChemSpider":"305"}
{"metaboliteNames":"gallic acid","FOBI":"FOBI:030352","HMDB":"HMDB05807","KEGG":"C01424","PubChemCID":"370","InChIKey":"LNTHITQWFMADLM-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)","ChemSpider":"361"}
{"metaboliteNames":"vanillic acid","FOBI":"FOBI:030343","HMDB":"HMDB00484","KEGG":"C06672","PubChemCID":"8468","InChIKey":"WKOLLVMJNQIZCI-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)","ChemSpider":"15694084"}
{"metaboliteNames":"delphinidin 3-O-beta-D-glucoside","FOBI":"FOBI:030634","KEGG":"C12138","PubChemCID":"443650","InChIKey":"XENHPQQLDPAYIJ-PEVLUNPASA-O","InChICode":"InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1","ChemSpider":"391783"}
{"metaboliteNames":"malvidin 3-O-beta-D-glucoside","FOBI":"FOBI:030635","KEGG":"C12140","PubChemCID":"443652","InChIKey":"PXUQTDZNOHRWLI-OXUVVOBNSA-O","InChICode":"InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1","ChemSpider":"391785"}
{"metaboliteNames":"pelargonidin 3-O-beta-D-glucoside","FOBI":"FOBI:030636","KEGG":"C12137","PubChemCID":"443648","InChIKey":"ABVCUBUIXWJYSE-GQUPQBGVSA-O","InChICode":"InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m1/s1","ChemSpider":"391782"}
{"metaboliteNames":"saccharin","FOBI":"FOBI:030626","KEGG":"C12283","PubChemCID":"5143","InChIKey":"CVHZOJJKTDOEJC-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)","ChemSpider":"10685695"}
{"metaboliteNames":"sucralose","FOBI":"FOBI:030627","KEGG":"C12285","PubChemCID":"71485","InChIKey":"BAQAVOSOZGMPRM-QBMZZYIRSA-N","InChICode":"InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1","ChemSpider":"64561"}
{"metaboliteNames":"trans-3-coumaric acid","FOBI":"FOBI:030384","HMDB":"HMDB01713","KEGG":"C12621","PubChemCID":"637541","InChIKey":"KKSDGJDHHZEWEP-SNAWJCMRSA-N","InChICode":"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+","ChemSpider":"553147"}
{"metaboliteNames":"heptadecanoic acid","FOBI":"FOBI:030739","HMDB":"HMDB02259","PubChemCID":"10465","InChIKey":"KEMQGTRYUADPNZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)"}
{"metaboliteNames":"trans-4-coumaric acid","FOBI":"FOBI:030385","HMDB":"HMDB02035","KEGG":"C00811","PubChemCID":"637542","InChIKey":"NGSWKAQJJWESNS-ZZXKWVIFSA-N","InChICode":"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+","ChemSpider":"553148"}
{"metaboliteNames":"5-acetamido-6-formamido-3-methyluracil","FOBI":"FOBI:030667","HMDB":"HMDB11105","KEGG":"C16365","PubChemCID":"108214","InChIKey":"RDZNZFGKEVDNPK-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16)","ChemSpider":"97287"}
{"metaboliteNames":"9-cis,11-trans-octadecadienoic acid","FOBI":"FOBI:08826","HMDB":"HMDB03797","KEGG":"C04056","PubChemCID":"5280644","InChIKey":"JBYXPOFIGCOSSB-GOJKSUSPSA-N","InChICode":"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-","ChemSpider":"4444245"}
{"metaboliteNames":"phloretic acid","FOBI":"FOBI:030416","HMDB":"HMDB02199","KEGG":"C01744","PubChemCID":"10394","InChIKey":"NMHMNPHRMNGLLB-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)"}
{"metaboliteNames":"equol","FOBI":"FOBI:030544","HMDB":"HMDB02209","KEGG":"C14131","PubChemCID":"91469","InChIKey":"ADFCQWZHKCXPAJ-GFCCVEGCSA-N","InChICode":"InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1","ChemSpider":"82594"}
{"metaboliteNames":"(6'R)-beta,epsilon-carotene","FOBI":"FOBI:030746","PubChemCID":"6419725","InChIKey":"ANVAOWXLWRTKGA-NTXLUARGSA-N","InChICode":"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1","ChemSpider":"4925358"}
{"metaboliteNames":"L-proline betaine","FOBI":"FOBI:030685","HMDB":"HMDB04827","KEGG":"C10172","PubChemCID":"115244","InChIKey":"CMUNUTVVOOHQPW-LURJTMIESA-N","InChICode":"InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1"}
{"metaboliteNames":"cis-resveratrol","FOBI":"FOBI:030591","PubChemCID":"1548910","InChIKey":"LUKBXSAWLPMMSZ-UPHRSURJSA-N","InChICode":"InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-","ChemSpider":"1265933"}
{"metaboliteNames":"vaccenic acid","FOBI":"FOBI:08825","KEGG":"C08367","PubChemCID":"5281127","InChIKey":"UWHZIFQPPBDJPM-BQYQJAHWSA-N","InChICode":"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+","ChemSpider":"4444571"}
{"metaboliteNames":"3,5-dihydroxybenzoic acid","FOBI":"FOBI:030330","HMDB":"HMDB13173","PubChemCID":"7424","InChIKey":"UYEMGAFJOZZIFP-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)"}
{"metaboliteNames":"2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid","FOBI":"FOBI:030651","PubChemCID":"123979","InChIKey":"WMCQWXZMVIETAO-UHFFFAOYSA-N","InChICode":"InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)"}
{"metaboliteNames":"indoxyl sulfate","FOBI":"FOBI:030702","HMDB":"HMDB00682","PubChemCID":"10258","InChIKey":"BXFFHSIDQOFMLE-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)"}
{"metaboliteNames":"L-rhamnitol","FOBI":"FOBI:030756","PubChemCID":"445052","InChIKey":"SKCKOFZKJLZSFA-BXKVDMCESA-N","InChICode":"InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4-,5-,6-/m0/s1","ChemSpider":"392801"}
{"metaboliteNames":"S-methylcysteine","FOBI":"FOBI:030678","HMDB":"HMDB02108","PubChemCID":"24417","InChIKey":"IDIDJDIHTAOVLG-VKHMYHEASA-N","InChICode":"InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1"}
{"metaboliteNames":"dihydroresveratrol","FOBI":"FOBI:030600","KEGG":"C10255","PubChemCID":"185914","InChIKey":"HITJFUSPLYBJPE-UHFFFAOYSA-N","InChICode":"InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2"}
{"metaboliteNames":"(-)-epigallocatechin 3-gallate","FOBI":"FOBI:030489","HMDB":"HMDB03153","KEGG":"C09731","PubChemCID":"65064","InChIKey":"WMBWREPUVVBILR-WIYYLYMNSA-N","InChICode":"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1","ChemSpider":"58575"}
{"metaboliteNames":"ergothioneine","FOBI":"FOBI:030684","HMDB":"HMDB03045","PubChemCID":"5351619","InChIKey":"SSISHJJTAXXQAX-ZETCQYMHSA-N","InChICode":"InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1","ChemSpider":"4508619"}
{"metaboliteNames":"3-(3,4-dihydroxyphenyl)propanoic acid","FOBI":"FOBI:030422","HMDB":"HMDB00423","KEGG":"C10447","PubChemCID":"348154","InChIKey":"DZAUWHJDUNRCTF-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)","ChemSpider":"308986"}
{"metaboliteNames":"7-methylxanthine","FOBI":"FOBI:030654","HMDB":"HMDB01991","KEGG":"C16353","PubChemCID":"68374","InChIKey":"PFWLFWPASULGAN-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)","ChemSpider":"61660"}
{"metaboliteNames":"3,4-dihydroxybenzaldehyde","FOBI":"FOBI:030455","KEGG":"C16700","PubChemCID":"8768","InChIKey":"IBGBGRVKPALMCQ-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H"}
{"metaboliteNames":"N(tele)-methyl-L-histidine","FOBI":"FOBI:030689","HMDB":"HMDB00001","PubChemCID":"7020397","InChIKey":"BRMWTNUJHUMWMS-LURJTMIESA-N","InChICode":"InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1","ChemSpider":"83153"}
{"metaboliteNames":"homovanillic acid","FOBI":"FOBI:030380","HMDB":"HMDB00118","KEGG":"C05582","PubChemCID":"1738","InChIKey":"QRMZSPFSDQBLIX-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)"}
{"metaboliteNames":"O-acetyl-L-carnitine","FOBI":"FOBI:030707","PubChemCID":"7045767","InChIKey":"RDHQFKQIGNGIED-MRVPVSSYSA-N","InChICode":"InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1","ChemSpider":"5406074"}
{"metaboliteNames":"Isochlorogenic acid b","FOBI":"FOBI:030400","KEGG":"C10468","PubChemCID":"5281780","InChIKey":"UFCLZKMFXSILNL-PSEXTPKNSA-N","InChICode":"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1","ChemSpider":"4445093"}
{"metaboliteNames":"isorhamnetin","FOBI":"FOBI:030562","HMDB":"HMDB02655","KEGG":"C10084","PubChemCID":"5281654","InChIKey":"IZQSVPBOUDKVDZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3","ChemSpider":"4444973"}
{"metaboliteNames":"3-methyl-9H-xanthine","FOBI":"FOBI:030653","HMDB":"HMDB01886","KEGG":"C16357","PubChemCID":"70639","InChIKey":"GMSNIKWWOQHZGF-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)","ChemSpider":"11181189"}
{"metaboliteNames":"DIBOA","FOBI":"FOBI:030732","KEGG":"C15770","PubChemCID":"28495","InChIKey":"COVOPZQGJGUPEY-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H","ChemSpider":"26511"}
{"metaboliteNames":"HBOA","FOBI":"FOBI:030726","KEGG":"C15769","PubChemCID":"322636","InChIKey":"VMQBFYRBJKDACN-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H7NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4,8,11H,(H,9,10)","ChemSpider":"285673"}
{"metaboliteNames":"3-hydroxy-4-methoxybenzoic acid","FOBI":"FOBI:030346","PubChemCID":"12575","InChIKey":"LBKFGYZQBSGRHY-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11"}
{"metaboliteNames":"3-(3-sulfooxyphenyl)propanoic acid","FOBI":"FOBI:08681","PubChemCID":"187488","InChIKey":"IQWLPDPKVFZEOK-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O6S/c10-9(11)5-4-7-2-1-3-8(6-7)15-16(12,13)14/h1-3,6H,4-5H2,(H,10,11)(H,12,13,14)"}
{"metaboliteNames":"malic acid","FOBI":"FOBI:030632","HMDB":"HMDB00744","KEGG":"C00711","PubChemCID":"20130941","InChIKey":"BJEPYKJPYRNKOW-UHFFFAOYSA-N","InChICode":"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)","ChemSpider":"14080972"}
{"metaboliteNames":"maslinic acid","FOBI":"FOBI:030753","HMDB":"HMDB02392","KEGG":"C16939","PubChemCID":"73659","InChIKey":"MDZKJHQSJHYOHJ-LLICELPBSA-N","InChICode":"InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1","ChemSpider":"66312"}
{"metaboliteNames":"syringic acid","FOBI":"FOBI:030349","HMDB":"HMDB02085","KEGG":"C10833","PubChemCID":"10742","InChIKey":"JMSVCTWVEWCHDZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)"}
{"metaboliteNames":"1-methyluric acid","FOBI":"FOBI:030659","HMDB":"HMDB03099","KEGG":"C16359","PubChemCID":"69726","InChIKey":"QFDRTQONISXGJA-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)","ChemSpider":"62926"}
{"metaboliteNames":"1-methyl-7H-xanthine","FOBI":"FOBI:030652","HMDB":"HMDB10738","KEGG":"C16358","PubChemCID":"80220","InChIKey":"MVOYJPOZRLFTCP-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)","ChemSpider":"72464"}
{"metaboliteNames":"1,3-dimethyluric acid","FOBI":"FOBI:030662","HMDB":"HMDB01857","PubChemCID":"70346","InChIKey":"OTSBKHHWSQYEHK-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)","ChemSpider":"63527"}
{"metaboliteNames":"1,7-dimethyluric acid","FOBI":"FOBI:030663","HMDB":"HMDB11103","KEGG":"C16356","PubChemCID":"91611","InChIKey":"NOFNCLGCUJJPKU-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)","ChemSpider":"82720"}
{"metaboliteNames":"2,6-dihydroxybenzoic acid","FOBI":"FOBI:030328","PubChemCID":"9338","InChIKey":"AKEUNCKRJATALU-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)"}
{"metaboliteNames":"pyrocatechol sulfate","FOBI":"FOBI:030446","PubChemCID":"3083879","InChIKey":"MZPWKJZDOCIALD-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H6O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4,7H,(H,8,9,10)","ChemSpider":"2341024"}
{"metaboliteNames":"3,7-dimethyluric acid","FOBI":"FOBI:030664","HMDB":"HMDB01982","KEGG":"C16360","PubChemCID":"83126","InChIKey":"HMLZLHKHNBLLJD-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)","ChemSpider":"74994"}
{"metaboliteNames":"hydroxytyrosol","FOBI":"FOBI:030582","HMDB":"HMDB05784","PubChemCID":"82755","InChIKey":"JUUBCHWRXWPFFH-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2","ChemSpider":"74680"}
{"metaboliteNames":"1,3,7-trimethyluric acid","FOBI":"FOBI:030665","HMDB":"HMDB02123","KEGG":"C16361","PubChemCID":"79437","InChIKey":"BYXCFUMGEBZDDI-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)","ChemSpider":"71754"}
{"metaboliteNames":"cyclo(L-Pro-L-Val)","FOBI":"FOBI:030669","PubChemCID":"6992261","InChIKey":"XLUAWXQORJEMBD-YUMQZZPRSA-N","InChICode":"InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)/t7-,8-/m0/s1","ChemSpider":"5360404"}
{"metaboliteNames":"m-hydroxyhippuric acid","FOBI":"FOBI:030342","HMDB":"HMDB06116","PubChemCID":"450268","InChIKey":"XDOFWFNMYJRHEW-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)"}
{"metaboliteNames":"p-hydroxyhippuric acid","FOBI":"FOBI:030341","PubChemCID":"151012","InChIKey":"ZMHLUFWWWPBTIU-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)","ChemSpider":"133104"}
{"metaboliteNames":"1-salicylate glucuronide","FOBI":"FOBI:030321","HMDB":"HMDB10313","PubChemCID":"3084023","InChIKey":"JSCWDKKMLIQCMR-CDHFTJPESA-N","InChICode":"InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-4-2-1-3-5(6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1","ChemSpider":"2341148"}
{"metaboliteNames":"S-allylcysteine","FOBI":"FOBI:030676","KEGG":"C16759","PubChemCID":"40424388","InChIKey":"ZFAHNWWNDFHPOH-YFKPBYRVSA-N","InChICode":"InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1"}
{"metaboliteNames":"procyanidin B2","FOBI":"FOBI:030490","KEGG":"C17639","PubChemCID":"122738","InChIKey":"XFZJEEAOWLFHDH-NFJBMHMQSA-N","InChICode":"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1"}
{"metaboliteNames":"kaempferol 3-O-glucuronide","FOBI":"FOBI:030566","PubChemCID":"5318759","InChIKey":"FNTJVYCFNVUBOL-ZUGPOPFOSA-N","InChICode":"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1","ChemSpider":"4477252"}
{"metaboliteNames":"luteolin 3'-O-glucuronide","FOBI":"FOBI:030556","PubChemCID":"10253785","InChIKey":"JDOFZOKGCYYUER-ZFORQUDYSA-N","InChICode":"InChI=1S/C21H18O12/c22-8-4-10(24)15-11(25)6-12(31-14(15)5-8)7-1-2-9(23)13(3-7)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1","ChemSpider":"8429271"}
{"metaboliteNames":"(+)-epicatechin-3-O-gallate","FOBI":"FOBI:030485","PubChemCID":"65056","InChIKey":"LSHVYAFMTMFKBA-FPOVZHCZSA-N","InChICode":"InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m0/s1","ChemSpider":"58567"}
{"metaboliteNames":"sinapic acid","FOBI":"FOBI:030412","KEGG":"C00482","PubChemCID":"10743","InChIKey":"PCMORTLOPMLEFB-ONEGZZNKSA-N","InChICode":"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+","ChemSpider":"553361"}
{"metaboliteNames":"DIBOA-glucoside","FOBI":"FOBI:030733","KEGG":"C15772","PubChemCID":"5316752","InChIKey":"OUSLYTBGQGKTME-BJPDSMLBSA-N","InChICode":"InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2/t8-,9-,10+,11-,13+,14?/m1/s1","ChemSpider":"4475737"}
{"metaboliteNames":"Enterodiol","FOBI":"FOBI:030615","HMDB":"HMDB05056","KEGG":"C18166","PubChemCID":"115089","InChIKey":"DWONJCNDULPHLV-HOTGVXAUSA-N","InChICode":"InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1"}
{"metaboliteNames":"trans-piceid","FOBI":"FOBI:030605","KEGG":"C10275","PubChemCID":"5281718","InChIKey":"HSTZMXCBWJGKHG-CUYWLFDKSA-N","InChICode":"InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1","ChemSpider":"4445034"}
{"metaboliteNames":"Arsenobetaine","FOBI":"FOBI:030710","KEGG":"C19331","PubChemCID":"47364","InChIKey":"SPTHHTGLGVZZRH-UHFFFAOYSA-N","InChICode":"InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3","ChemSpider":"43109"}
{"metaboliteNames":"N-(2-furoyl)glycine","FOBI":"FOBI:030649","HMDB":"HMDB00439","PubChemCID":"21863","InChIKey":"KSPQDMRTZZYQLM-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)"}
{"metaboliteNames":"p-cresol sulfate","FOBI":"FOBI:030699","HMDB":"HMDB11635","PubChemCID":"4615423","InChIKey":"WGNAKZGUSRVWRH-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)"}
{"metaboliteNames":"dihydroresveratrol-3-O-sulfate","FOBI":"FOBI:030603","PubChemCID":"86583349","InChIKey":"KAVKAZLSONPCRU-UHFFFAOYSA-N","InChICode":"InChI=1S/C14H14O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h3-9,15-16H,1-2H2,(H,17,18,19)"}
{"metaboliteNames":"dihydroresveratrol-3-O-beta-D-glucuronide","FOBI":"FOBI:030601","PubChemCID":"86583350","InChIKey":"NXXGJRZWYCYPCB-HBWRTXEVSA-N","InChICode":"InChI=1S/C20H22O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h3-9,15-18,20-25H,1-2H2,(H,26,27)/t15-,16-,17+,18-,20+/m0/s1"}
{"metaboliteNames":"resveratrol-3-O-sulfate","FOBI":"FOBI:030596","PubChemCID":"25113755","InChIKey":"DULQFFCIVGYOFH-OWOJBTEDSA-N","InChICode":"InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+"}
{"metaboliteNames":"trans-4-hydroxy-L-proline betaine","FOBI":"FOBI:030686","KEGG":"C08269","PubChemCID":"164642","InChIKey":"MUNWAHDYFVYIKH-RITPCOANSA-N","InChICode":"InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1","ChemSpider":"144333"}
{"metaboliteNames":"epicatechin","FOBI":"FOBI:030461","HMDB":"HMDB0001871","KEGG":"C09727","PubChemCID":"72276","InChIKey":"PFTAWBLQPZVEMU-UKRRQHHQSA-N","InChICode":"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1","ChemSpider":"65230"}
{"metaboliteNames":"2-hydroxyhippuric acid","FOBI":"FOBI:08827","HMDB":"HMDB00840","KEGG":"C07588","PubChemCID":"10253","InChIKey":"ONJSZLXSECQROL-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)"}
{"metaboliteNames":"tomatidine","FOBI":"FOBI:030717","KEGG":"C10826","PubChemCID":"65576","InChIKey":"XYNPYHXGMWJBLV-VXPJTDKGSA-N","InChICode":"InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1","ChemSpider":"59019"}
{"metaboliteNames":"3-hydroxybenzoic acid glucuronide","FOBI":"FOBI:030322","InChIKey":"ZXNABXFYKZWAPQ-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-3-1-2-5(4-6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)"}
{"metaboliteNames":"4-hydroxybenzoic acid glucuronide","FOBI":"FOBI:030323","InChIKey":"DKNOHNCMCYDVLT-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-3-1-5(2-4-6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)"}
{"metaboliteNames":"2-hydroxybenzoic acid sulfate","FOBI":"FOBI:030324","PubChemCID":"10198308","InChIKey":"MOODSJOROWROTO-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O6S/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12)","ChemSpider":"8373808"}
{"metaboliteNames":"3-hydroxybenzoic acid sulfate","FOBI":"FOBI:030325","PubChemCID":"21126437","InChIKey":"MZYPOJMKJHCOQG-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O6S/c8-7(9)5-2-1-3-6(4-5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12)","ChemSpider":"19994151"}
{"metaboliteNames":"4-hydroxybenzoic acid sulfate","FOBI":"FOBI:030326","PubChemCID":"18690341","InChIKey":"RJTYSXVYCZAUHE-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12)"}
{"metaboliteNames":"2,4-dihydroxybenzoic acid","FOBI":"FOBI:030327","PubChemCID":"1491","InChIKey":"UIAFKZKHHVMJGS-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)","ChemSpider":"1446"}
{"metaboliteNames":"3,4-dihydroxybenzoic acid","FOBI":"FOBI:030329","HMDB":"HMDB01856","KEGG":"C00230","PubChemCID":"72","InChIKey":"YQUVCSBJEUQKSH-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)","ChemSpider":"71"}
{"metaboliteNames":"3,4-dihydroxybenzoic acid 3-glucuronide","FOBI":"FOBI:030331","PubChemCID":"71316220","InChIKey":"CXNFDJSOAJNKSU-CDHFTJPESA-N","InChICode":"InChI=1S/C13H14O10/c14-5-2-1-4(11(18)19)3-6(5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)/t7-,8-,9+,10-,13+/m0/s1"}
{"metaboliteNames":"3,4-dihydroxybenzoic acid 4-glucuronide","FOBI":"FOBI:030332","InChIKey":"NLCBCVGRBFNEJE-CDHFTJPESA-N","InChICode":"InChI=1S/C13H14O10/c14-5-3-4(11(18)19)1-2-6(5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)/t7-,8-,9+,10-,13+/m0/s1"}
{"metaboliteNames":"3,5-dihydroxybenzoic acid glucuronide","FOBI":"FOBI:030333","InChIKey":"LEONNYUSLXUBTI-CDHFTJPESA-N","InChICode":"InChI=1S/C13H14O10/c14-5-1-4(11(18)19)2-6(3-5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)/t7-,8-,9+,10-,13+/m0/s1"}
{"metaboliteNames":"3,4-dihydroxybenzoic acid 3-sulfate","FOBI":"FOBI:030336","PubChemCID":"71316222","InChIKey":"GSFKEOSQCKWCLH-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13)"}
{"metaboliteNames":"3,4-dihydroxybenzoic acid 4-sulfate","FOBI":"FOBI:030337","PubChemCID":"195945","InChIKey":"NGQYUDIZIPNWJV-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O7S/c8-5-3-4(7(9)10)1-2-6(5)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13)"}
{"metaboliteNames":"3,5-dihydroxybenzoic acid sulfate","FOBI":"FOBI:030338","InChIKey":"NDZHPENMJGDGPX-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O7S/c8-5-1-4(7(9)10)2-6(3-5)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13)"}
{"metaboliteNames":"vanillic acid glucuronide","FOBI":"FOBI:030344","InChIKey":"BSTDQIXKAVCPLC-JLERCCTOSA-N","InChICode":"InChI=1S/C14H16O10/c1-22-7-4-5(2-3-6(7)15)13(21)24-14-10(18)8(16)9(17)11(23-14)12(19)20/h2-4,8-11,14-18H,1H3,(H,19,20)/t8-,9-,10+,11-,14?/m0/s1"}
{"metaboliteNames":"vanillic acid sulfate","FOBI":"FOBI:030345","PubChemCID":"382946","InChIKey":"TXRKUXPAEPOCIX-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O7S/c1-14-7-4-5(8(9)10)2-3-6(7)15-16(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13)"}
{"metaboliteNames":"isovanillic acid glucuronide","FOBI":"FOBI:030347","InChIKey":"HATMKBLUSXVYDS-JLERCCTOSA-N","InChICode":"InChI=1S/C14H16O10/c1-22-7-3-2-5(4-6(7)15)13(21)24-14-10(18)8(16)9(17)11(23-14)12(19)20/h2-4,8-11,14-18H,1H3,(H,19,20)/t8-,9-,10+,11-,14?/m0/s1"}
{"metaboliteNames":"isovanillic acid sulfate","FOBI":"FOBI:030348","InChIKey":"VSFFJSSUGMYRMP-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O7S/c1-14-6-3-2-5(8(9)10)4-7(6)15-16(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13)"}
{"metaboliteNames":"syringic acid glucuronide","FOBI":"FOBI:030350","InChIKey":"WOGNQDHJFYPQMD-YGMDGNCASA-N","InChICode":"InChI=1S/C15H18O11/c1-23-6-3-5(13(19)20)4-7(24-2)11(6)25-15-10(18)8(16)9(17)12(26-15)14(21)22/h3-4,8-10,12,15-18H,1-2H3,(H,19,20)(H,21,22)/t8-,9-,10+,12-,15+/m0/s1"}
{"metaboliteNames":"syringic acid sulfate","FOBI":"FOBI:030351","InChIKey":"RUXRRHGJTRVOSL-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O8S/c1-15-6-3-5(9(10)11)4-7(16-2)8(6)17-18(12,13)14/h3-4H,1-2H3,(H,10,11)(H,12,13,14)"}
{"metaboliteNames":"gallic acid 3-glucuronide","FOBI":"FOBI:030353","InChIKey":"WGYCQDRFPFTOJY-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H14O11/c14-4-1-3(11(19)20)2-5(6(4)15)23-13-9(18)7(16)8(17)10(24-13)12(21)22/h1-2,7-10,13-18H,(H,19,20)(H,21,22)"}
{"metaboliteNames":"gallic acid 4-glucuronide","FOBI":"FOBI:030354","InChIKey":"DSZHBCQGMXJFGB-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H14O11/c14-4-1-3(11(19)20)2-5(15)9(4)23-13-8(18)6(16)7(17)10(24-13)12(21)22/h1-2,6-8,10,13-18H,(H,19,20)(H,21,22)"}
{"metaboliteNames":"gallic acid 3-sulfate","FOBI":"FOBI:030355","InChIKey":"GDGXJKFVYIFICY-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O8S/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h1-2,8-9H,(H,10,11)(H,12,13,14)"}
{"metaboliteNames":"gallic acid 4-sulfate","FOBI":"FOBI:030356","InChIKey":"DMNOQQUULVKPTE-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O8S/c8-4-1-3(7(10)11)2-5(9)6(4)15-16(12,13)14/h1-2,8-9H,(H,10,11)(H,12,13,14)"}
{"metaboliteNames":"4-methylgallic acid","FOBI":"FOBI:030357","HMDB":"HMDB13198","PubChemCID":"78016","InChIKey":"UBXDWYFLYYJQFR-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12)","ChemSpider":"70398"}
{"metaboliteNames":"ethylgallate","FOBI":"FOBI:030365","PubChemCID":"13250","InChIKey":"VFPFQHQNJCMNBZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3"}
{"metaboliteNames":"ethylgallate 3-glucuronide","FOBI":"FOBI:030366","InChIKey":"AYYKZKTZUDGRGL-QKZHPOIUSA-N","InChICode":"InChI=1S/C15H18O11/c1-2-24-14(23)5-3-6(16)8(17)7(4-5)25-15-11(20)9(18)10(19)12(26-15)13(21)22/h3-4,9-12,15-20H,2H2,1H3,(H,21,22)/t9-,10-,11+,12-,15+/m0/s1"}
{"metaboliteNames":"ethylgallate 3-sulfate","FOBI":"FOBI:030367","InChIKey":"JRHRIYQMDUZNBA-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O8S/c1-2-16-9(12)5-3-6(10)8(11)7(4-5)17-18(13,14)15/h3-4,10-11H,2H2,1H3,(H,13,14,15)"}
{"metaboliteNames":"2-hydroxyphenylacetic acid glucuronide","FOBI":"FOBI:030371","InChIKey":"MLBYCKGONSBJSK-IYJSFKGYSA-N","InChICode":"InChI=1S/C17H22O6/c1-9-10(2)15(16(20)21)23-17(11(9)3)22-13-7-5-4-6-12(13)8-14(18)19/h4-7,9-11,15,17H,8H2,1-3H3,(H,18,19)(H,20,21)/t9-,10?,11?,15-,17+/m0/s1"}
{"metaboliteNames":"3-hydroxyphenylacetic acid glucuronide","FOBI":"FOBI:030372","InChIKey":"UJBQYMIQTYWRFA-UHFFFAOYSA-N","InChICode":"InChI=1S/C14H16O9/c15-8(16)5-6-2-1-3-7(4-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-4,9-12,14,17-19H,5H2,(H,15,16)(H,20,21)"}
{"metaboliteNames":"4-hydroxyphenylacetic acid glucuronide","FOBI":"FOBI:030373","InChIKey":"DPTGYOOHBJLCOL-UHFFFAOYSA-N","InChICode":"InChI=1S/C14H16O9/c15-8(16)5-6-1-3-7(4-2-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-4,9-12,14,17-19H,5H2,(H,15,16)(H,20,21)"}
{"metaboliteNames":"2-hydroxyphenylacetic acid sulfate","FOBI":"FOBI:030374","InChIKey":"SXQLBARVXZQRLB-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O6S/c9-8(10)5-6-3-1-2-4-7(6)14-15(11,12)13/h1-4H,5H2,(H,9,10)(H,11,12,13)"}
{"metaboliteNames":"3-hydroxyphenylacetic acid sulfate","FOBI":"FOBI:030375","InChIKey":"VBCLPDSIELLWDI-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O6S/c9-8(10)5-6-2-1-3-7(4-6)14-15(11,12)13/h1-4H,5H2,(H,9,10)(H,11,12,13)"}
{"metaboliteNames":"4-hydroxyphenylacetic acid sulfate","FOBI":"FOBI:030376","InChIKey":"IIODELUADFSHIZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O6S/c9-8(10)5-6-1-3-7(4-2-6)14-15(11,12)13/h1-4H,5H2,(H,9,10)(H,11,12,13)"}
{"metaboliteNames":"3,4-dihydroxyphenylacetic acid","FOBI":"FOBI:030377","HMDB":"HMDB01336","KEGG":"C01161","PubChemCID":"547","InChIKey":"CFFZDZCDUFSOFZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)","ChemSpider":"15765504"}
{"metaboliteNames":"homovanillic acid 4-glucuronide","FOBI":"FOBI:030381","InChIKey":"CXBMXYMXMRBMJY-DKBOKBLXSA-N","InChICode":"InChI=1S/C15H18O10/c1-23-8-4-6(5-9(16)17)2-3-7(8)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h2-4,10-13,15,18-20H,5H2,1H3,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/m0/s1"}
{"metaboliteNames":"homovanillic acid 4-sulfate","FOBI":"FOBI:030382","HMDB":"HMDB11719","PubChemCID":"29981063","InChIKey":"IACOAKYXFIWAQN-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)"}
{"metaboliteNames":"o-coumaric acid glucuronide","FOBI":"FOBI:030386","InChIKey":"KRKMNGLGYXJMBZ-WAYWQWQTSA-N","InChICode":"InChI=1S/C15H16O9/c16-9(17)6-5-7-3-1-2-4-8(7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-6,10-13,15,18-20H,(H,16,17)(H,21,22)/b6-5-"}
{"metaboliteNames":"m-coumaric acid glucuronide","FOBI":"FOBI:030387","InChIKey":"XPCHMFOWDFTFNV-SNAWJCMRSA-N","InChICode":"InChI=1S/C15H16O9/c16-9(17)5-4-7-2-1-3-8(6-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-6,10-13,15,18-20H,(H,16,17)(H,21,22)/b5-4+"}
{"metaboliteNames":"p-coumaric acid glucuronide","FOBI":"FOBI:030388","PubChemCID":"71314996","InChIKey":"SOKJXEKPKWKYKR-KPGYTNHDSA-N","InChICode":"InChI=1S/C15H16O9/c16-9(17)6-3-7-1-4-8(5-2-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-6,10-13,15,18-20H,(H,16,17)(H,21,22)/b6-3+/t10-,11-,12+,13-,15+/m0/s1"}
{"metaboliteNames":"o-coumaric acid sulfate","FOBI":"FOBI:030389","PubChemCID":"59950526","InChIKey":"BTRJLVGUHCECAH-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H8O6S/c10-9(11)6-5-7-3-1-2-4-8(7)15-16(12,13)14/h1-6H,(H,10,11)(H,12,13,14)"}
{"metaboliteNames":"m-coumaric acid sulfate","FOBI":"FOBI:030390","PubChemCID":"6443141","InChIKey":"YPXHXDXMTWPQTO-SNAWJCMRSA-N","InChICode":"InChI=1S/C9H8O6S/c10-9(11)5-4-7-2-1-3-8(6-7)15-16(12,13)14/h1-6H,(H,10,11)(H,12,13,14)/b5-4+","ChemSpider":"4947175"}
{"metaboliteNames":"p-coumaric acid sulfate","FOBI":"FOBI:030391","PubChemCID":"6070438","InChIKey":"OYDCCWNLILCHDJ-ZZXKWVIFSA-N","InChICode":"InChI=1S/C9H8O6S/c10-9(11)6-3-7-1-4-8(5-2-7)15-16(12,13)14/h1-6H,(H,10,11)(H,12,13,14)/b6-3+","ChemSpider":"4797737"}
{"metaboliteNames":"caffeic acid 3-glucuronide","FOBI":"FOBI:030393","PubChemCID":"25171992","InChIKey":"BSOMSDFTZKNUHY-ZYZFHZPYSA-N","InChICode":"InChI=1S/C15H16O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+/t10-,11-,12+,13-,15+/m0/s1"}
{"metaboliteNames":"caffeic acid 4-glucuronide","FOBI":"FOBI:030394","PubChemCID":"25171780","InChIKey":"LTGOIJNQWZWJRF-ZYZFHZPYSA-N","InChICode":"InChI=1S/C15H16O10/c16-7-5-6(2-4-9(17)18)1-3-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+/t10-,11-,12+,13-,15+/m0/s1"}
{"metaboliteNames":"caffeic acid 3-sulfate","FOBI":"FOBI:030395","PubChemCID":"102261219","InChIKey":"VWQNTRNACRFUCQ-DUXPYHPUSA-N","InChICode":"InChI=1S/C9H8O7S/c10-7-3-1-6(2-4-9(11)12)5-8(7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b4-2+"}
{"metaboliteNames":"caffeic acid 4-sulfate","FOBI":"FOBI:030396","PubChemCID":"21668705","InChIKey":"SNVAIAITQIIEMQ-DUXPYHPUSA-N","InChICode":"InChI=1S/C9H8O7S/c10-7-5-6(2-4-9(11)12)1-3-8(7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b4-2+"}
{"metaboliteNames":"4-caffeoylquinic acid","FOBI":"FOBI:030398","PubChemCID":"5315600","InChIKey":"GYFFKZTYYAFCTR-AVXJPILUSA-N","InChICode":"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1"}
{"metaboliteNames":"3,5-dicaffeoylquinic acid","FOBI":"FOBI:030401","PubChemCID":"6474310","InChIKey":"KRZBCHWVBQOTNZ-RDJMKVHDSA-N","InChICode":"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1","ChemSpider":"4976336"}
{"metaboliteNames":"4,5-dicaffeoylquinic acid","FOBI":"FOBI:030402","PubChemCID":"6474309","InChIKey":"UFCLZKMFXSILNL-RVXRWRFUSA-N","InChICode":"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1","ChemSpider":"4976335"}
{"metaboliteNames":"3-feruloylquinic acid","FOBI":"FOBI:030403","PubChemCID":"10133609","InChIKey":"RAGZUCNPTLULOL-KQJPBSFVSA-N","InChICode":"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1","ChemSpider":"8309124"}
{"metaboliteNames":"4-feruloylquinic acid","FOBI":"FOBI:030404","PubChemCID":"10177048","InChIKey":"VTMFDSJJVNQXLT-XQCMRRNBSA-N","InChICode":"InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15?,17?/m1/s1","ChemSpider":"8352553"}
{"metaboliteNames":"5-feruloylquinic acid","FOBI":"FOBI:030405","PubChemCID":"15901362","InChIKey":"RAGZUCNPTLULOL-LWOZFZEPSA-N","InChICode":"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1"}
{"metaboliteNames":"ferulic acid 4-glucuronide","FOBI":"FOBI:030408","PubChemCID":"6443140","InChIKey":"TWSIWBHKRJLZCF-MBAOVNHDSA-N","InChICode":"InChI=1S/C16H18O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1","ChemSpider":"4947174"}
{"metaboliteNames":"isoferulic acid 3-glucuronide","FOBI":"FOBI:030409","PubChemCID":"49844484","InChIKey":"SHJZLGVIOYFHCB-MBAOVNHDSA-N","InChICode":"InChI=1S/C16H18O10/c1-24-8-4-2-7(3-5-10(17)18)6-9(8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1"}
{"metaboliteNames":"ferulic acid 4-sulfate","FOBI":"FOBI:030410","PubChemCID":"6305574","InChIKey":"PZPATWACAAOHTJ-HWKANZROSA-N","InChICode":"InChI=1S/C10H10O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+","ChemSpider":"4878542"}
{"metaboliteNames":"isoferulic acid 3-sulfate","FOBI":"FOBI:030411","PubChemCID":"71749556","InChIKey":"DCMKMHVTKFJMAU-HWKANZROSA-N","InChICode":"InChI=1S/C10H10O7S/c1-16-8-4-2-7(3-5-10(11)12)6-9(8)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+"}
{"metaboliteNames":"sinapic acid glucuronide","FOBI":"FOBI:030413","InChIKey":"SVMPWPWAQOHKHG-UOZBHZCFSA-N","InChICode":"InChI=1S/C17H20O11/c1-25-8-5-7(3-4-10(18)19)6-9(26-2)14(8)27-17-13(22)11(20)12(21)15(28-17)16(23)24/h3-6,11-13,15,17,20-22H,1-2H3,(H,18,19)(H,23,24)/t11-,12-,13+,15-,17+/m0/s1"}
{"metaboliteNames":"sinapic acid sulfate","FOBI":"FOBI:030414","InChIKey":"KJWQVTFGBFEXMV-ONEGZZNKSA-N","InChICode":"InChI=1S/C11H12O8S/c1-17-8-5-7(3-4-10(12)13)6-9(18-2)11(8)19-20(14,15)16/h3-6H,1-2H3,(H,12,13)(H,14,15,16)/b4-3+"}
{"metaboliteNames":"3-(3,5-dihydroxyphenyl)propionic acid","FOBI":"FOBI:030419","PubChemCID":"161525","InChIKey":"ITPFIKQWNDGDLG-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O4/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5,10-11H,1-2H2,(H,12,13)"}
{"metaboliteNames":"3-(3,5-dihydroxyphenyl)propionic acid glucuronide","FOBI":"FOBI:030420","InChIKey":"IITQLVPAMWYCDQ-DKBOKBLXSA-N","InChICode":"InChI=1S/C15H18O10/c16-7-3-6(1-2-9(17)18)4-8(5-7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h3-5,10-13,15-16,19-21H,1-2H2,(H,17,18)(H,22,23)/t10-,11-,12+,13-,15+/m0/s1"}
{"metaboliteNames":"3-(3,5-dihydroxyphenyl)propionic acid sulfate","FOBI":"FOBI:030421","InChIKey":"WEPNMLSXEATIJK-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O7S/c10-7-5-6(2-4-9(11)12)1-3-8(7)16-17(13,14)15/h1,3,5,10H,2,4H2,(H,11,12)(H,13,14,15)"}
{"metaboliteNames":"dihydrocaffeic acid 3-glucuronide","FOBI":"FOBI:030423","PubChemCID":"49844972","InChIKey":"AELQNMHOLDHBFA-DKBOKBLXSA-N","InChICode":"InChI=1S/C15H18O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1,3,5,10-13,15-16,19-21H,2,4H2,(H,17,18)(H,22,23)/t10-,11-,12+,13-,15+/m0/s1"}
{"metaboliteNames":"dihydrocaffeic acid 3-sulfate","FOBI":"FOBI:030424","PubChemCID":"49844181","InChIKey":"MIMULQQHBAZGER-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O7S/c10-7-3-1-6(2-4-9(11)12)5-8(7)16-17(13,14)15/h1,3,5,10H,2,4H2,(H,11,12)(H,13,14,15)"}
{"metaboliteNames":"dihydroferulic acid","FOBI":"FOBI:030425","PubChemCID":"14340","InChIKey":"BOLQJTPHPSDZHR-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)"}
{"metaboliteNames":"dihydroisoferulic acid","FOBI":"FOBI:030426","PubChemCID":"2752054","InChIKey":"ZVIJTQFTLXXGJA-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H12O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)","ChemSpider":"2033192"}
{"metaboliteNames":"dihydroferulic acid 4-glucuronide","FOBI":"FOBI:030427","PubChemCID":"190069","InChIKey":"KYERCTIKYSSKPA-JHZZJYKESA-N","InChICode":"InChI=1S/C16H20O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2,4,6,11-14,16,19-21H,3,5H2,1H3,(H,17,18)(H,22,23)/t11-,12-,13+,14-,16+/m0/s1"}
{"metaboliteNames":"dihydroisoferulic acid 3-glucuronide","FOBI":"FOBI:030428","PubChemCID":"49844034","InChIKey":"OSJGZCUHTGTJHT-JHZZJYKESA-N","InChICode":"InChI=1S/C16H20O10/c1-24-8-4-2-7(3-5-10(17)18)6-9(8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2,4,6,11-14,16,19-21H,3,5H2,1H3,(H,17,18)(H,22,23)/t11-,12-,13+,14-,16+/m0/s1"}
{"metaboliteNames":"dihydroferulic acid 4-sulfate","FOBI":"FOBI:030429","PubChemCID":"187489","InChIKey":"UMCDODPBPQMWQP-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H12O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2,4,6H,3,5H2,1H3,(H,11,12)(H,13,14,15)"}
{"metaboliteNames":"dihydroisoferulic acid 3-sulfate","FOBI":"FOBI:030430","PubChemCID":"49844179","InChIKey":"QZIYZVFIROFZCV-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H12O7S/c1-16-8-4-2-7(3-5-10(11)12)6-9(8)17-18(13,14)15/h2,4,6H,3,5H2,1H3,(H,11,12)(H,13,14,15)"}
{"metaboliteNames":"3-(3-hydroxyphenyl)-3-hydroxypropionic acid","FOBI":"FOBI:030431","HMDB":"HMDB02643","PubChemCID":"102959","InChIKey":"KHTAGVZHYUZYMF-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O4/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8,10-11H,5H2,(H,12,13)","ChemSpider":"93013"}
{"metaboliteNames":"pyrogallol 1-glucuronide","FOBI":"FOBI:030433","InChIKey":"QCVMOWDDTCUWLI-UHFFFAOYSA-N","InChICode":"InChI=1S/C12H14O9/c13-4-2-1-3-5(6(4)14)20-12-9(17)7(15)8(16)10(21-12)11(18)19/h1-3,7-10,12-17H,(H,18,19)"}
{"metaboliteNames":"pyrogallol 2-glucuronide","FOBI":"FOBI:030434","PubChemCID":"122553541","InChIKey":"SOHXEAWMMVSJFL-COGRHJPHSA-N","InChICode":"InChI=1S/C12H14O9/c13-4-2-1-3-5(14)9(4)20-12-8(17)6(15)7(16)10(21-12)11(18)19/h1-3,6-8,10,12-17H,(H,18,19)/t6-,7-,8+,10-,12+/m0/s1"}
{"metaboliteNames":"pyrogallol 1-sulfate","FOBI":"FOBI:030435","PubChemCID":"54110629","InChIKey":"NGVLEQPKHLWZLN-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H6O6S/c7-4-2-1-3-5(6(4)8)12-13(9,10)11/h1-3,7-8H,(H,9,10,11)"}
{"metaboliteNames":"pyrogallol 2-sulfate","FOBI":"FOBI:030436","InChIKey":"XADBYTWTQXSBAF-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H6O6S/c7-4-2-1-3-5(8)6(4)12-13(9,10)11/h1-3,7-8H,(H,9,10,11)"}
{"metaboliteNames":"1-methylpyrogallol","FOBI":"FOBI:030437","PubChemCID":"13622","InChIKey":"LPYUENQFPVNPHY-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3"}
{"metaboliteNames":"2-methylpyrogallol","FOBI":"FOBI:030438","PubChemCID":"121805","InChIKey":"QFYYAIBEHOEZKC-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8O3/c1-10-7-5(8)3-2-4-6(7)9/h2-4,8-9H,1H3"}
{"metaboliteNames":"catechol glucuronide","FOBI":"FOBI:030445","PubChemCID":"75124209","InChIKey":"ICPYZFZFSLTYID-GOVZDWNOSA-N","InChICode":"InChI=1S/C12H14O8/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1"}
{"metaboliteNames":"4-methylcatechol 1-glucuronide","FOBI":"FOBI:030448","InChIKey":"PLHZIQGSGAGOQO-PXSDQIBWSA-N","InChICode":"InChI=1S/C13H16O8/c1-5-2-3-7(6(14)4-5)20-13-10(17)8(15)9(16)11(21-13)12(18)19/h2-4,8-11,13-17H,1H3,(H,18,19)/t8-,9?,10?,11-,13+/m1/s1"}
{"metaboliteNames":"4-methylcatechol 2-glucuronide","FOBI":"FOBI:030449","PubChemCID":"189501","InChIKey":"UQDOAPRFPPMAOO-XPORZQOISA-N","InChICode":"InChI=1S/C13H16O8/c1-5-2-3-6(14)7(4-5)20-13-10(17)8(15)9(16)11(21-13)12(18)19/h2-4,8-11,13-17H,1H3,(H,18,19)/t8-,9-,10+,11-,13+/m0/s1"}
{"metaboliteNames":"4-methylcatechol 1-sulfate","FOBI":"FOBI:030450","PubChemCID":"54104170","InChIKey":"NCOMUGOPQPRVSE-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8O5S/c1-5-2-3-7(6(8)4-5)12-13(9,10)11/h2-4,8H,1H3,(H,9,10,11)"}
{"metaboliteNames":"4-methylcatechol 2-sulfate","FOBI":"FOBI:030451","InChIKey":"CMEBXVIUEVCAFK-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8O5S/c1-5-2-3-6(8)7(4-5)12-13(9,10)11/h2-4,8H,1H3,(H,9,10,11)"}
{"metaboliteNames":"2,4,6-trihydroxybenzaldehyde","FOBI":"FOBI:030456","PubChemCID":"68099","InChIKey":"BTQAJGSMXCDDAJ-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H","ChemSpider":"61408"}
{"metaboliteNames":"vanillin glucuronide","FOBI":"FOBI:030458","InChIKey":"FHLOUKKMIKQAHL-BYNIDDHOSA-N","InChICode":"InChI=1S/C14H16O9/c1-21-8-4-6(5-15)2-3-7(8)22-14-11(18)9(16)10(17)12(23-14)13(19)20/h2-5,9-12,14,16-18H,1H3,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1"}
{"metaboliteNames":"vanillin sulfate","FOBI":"FOBI:030459","PubChemCID":"20822599","InChIKey":"OUIKMDRGUNIXSP-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O6S/c1-13-8-4-6(5-9)2-3-7(8)14-15(10,11)12/h2-5H,1H3,(H,10,11,12)"}
{"metaboliteNames":"(epi)catechin 7-glucuronide","FOBI":"FOBI:030462","InChICode":"InChI=1S/C21H22O12/c22-10-2-1-7(3-12(10)24)18-13(25)6-9-11(23)4-8(5-14(9)32-18)31-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,13,15-19,21-28H,6H2,(H,29,30)"}
{"metaboliteNames":"(epi)catechin 5-glucuronide","FOBI":"FOBI:030463","InChICode":"InChI=1S/C21H22O12/c22-8-4-13-9(6-12(25)18(31-13)7-1-2-10(23)11(24)3-7)14(5-8)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)"}
{"metaboliteNames":"(epi)catechin 3-glucuronide","FOBI":"FOBI:030464","InChICode":"InChI=1S/C21H22O12/c22-8-4-11(24)9-6-14(32-21-17(28)15(26)16(27)19(33-21)20(29)30)18(31-13(9)5-8)7-1-2-10(23)12(25)3-7/h1-5,14-19,21-28H,6H2,(H,29,30)"}
{"metaboliteNames":"(epi)catechin 3'-glucuronide","FOBI":"FOBI:030465","InChICode":"InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)"}
{"metaboliteNames":"(epi)catechin 4'-glucuronide","FOBI":"FOBI:030466","InChICode":"InChI=1S/C21H22O12/c22-8-4-10(23)9-6-12(25)18(31-14(9)5-8)7-1-2-13(11(24)3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)"}
{"metaboliteNames":"(epi)catechin 7-sulfate","FOBI":"FOBI:030467","InChICode":"InChI=1S/C15H14O10S/c16-10-2-1-7(3-12(10)18)15-13(19)6-9-11(17)4-8(5-14(9)23-15)24-25-26(20,21)22/h1-5,13,15-19H,6H2,(H,20,21,22)/p-1"}
{"metaboliteNames":"(epi)catechin 5-sulfate","FOBI":"FOBI:030468","InChICode":"InChI=1S/C15H14O10S/c16-8-4-13-9(14(5-8)24-25-26(20,21)22)6-12(19)15(23-13)7-1-2-10(17)11(18)3-7/h1-5,12,15-19H,6H2,(H,20,21,22)/p-1"}
{"metaboliteNames":"(epi)catechin 3-sulfate","FOBI":"FOBI:030469","InChICode":"InChI=1S/C15H14O10S/c16-8-4-11(18)9-6-14(24-25-26(20,21)22)15(23-13(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,14-19H,6H2,(H,20,21,22)/p-1"}
{"metaboliteNames":"(epi)catechin 3'-sulfate","FOBI":"FOBI:030470","InChICode":"InChI=1S/C15H14O10S/c16-8-4-11(18)9-6-12(19)15(23-13(9)5-8)7-1-2-10(17)14(3-7)24-25-26(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/p-1"}
{"metaboliteNames":"(epi)catechin 4'-sulfate","FOBI":"FOBI:030471","InChICode":"InChI=1S/C15H14O10S/c16-8-4-10(17)9-6-12(19)15(23-14(9)5-8)7-1-2-13(11(18)3-7)24-25-26(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/p-1"}
{"metaboliteNames":"4'-methylepicatechin","FOBI":"FOBI:030472","PubChemCID":"14332898","InChIKey":"ZHDMPVIDHWJGTN-CZUORRHYSA-N","InChICode":"InChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1"}
{"metaboliteNames":"3'-methylepicatechin","FOBI":"FOBI:030473","InChIKey":"BBDWMQGDVLQOSW-UHFFFAOYSA-N","InChICode":"InChI=1S/C16H16O6/c1-16(21)7-10-12(19)5-9(17)6-14(10)22-15(16)8-2-3-11(18)13(20)4-8/h2-6,15,17-21H,7H2,1H3"}
{"metaboliteNames":"epigallocatechin","FOBI":"FOBI:030486","KEGG":"C12136","PubChemCID":"72277","InChIKey":"XMOCLSLCDHWDHP-IUODEOHRSA-N","InChICode":"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1","ChemSpider":"65231"}
{"metaboliteNames":"epigallocatechin 3-glucuronide","FOBI":"FOBI:030487","PubChemCID":"101449862","InChIKey":"ZTOAOZDTXSRHIB-BBGDWMAASA-N","InChICode":"InChI=1S/C21H22O13/c22-7-3-9(23)8-5-13(33-21-17(29)15(27)16(28)19(34-21)20(30)31)18(32-12(8)4-7)6-1-10(24)14(26)11(25)2-6/h1-4,13,15-19,21-29H,5H2,(H,30,31)/t13-,15+,16+,17-,18-,19+,21-/m1/s1"}
{"metaboliteNames":"epigallocatechin 3-sulfate","FOBI":"FOBI:030488","InChIKey":"PFNBTZIECYHRTC-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H14O10S/c16-8-1-6-4-12(25-26(21,22)23)15(24-14(6)11(19)5-8)7-2-9(17)13(20)10(18)3-7/h1-3,5,12,15-20H,4H2,(H,21,22,23)"}
{"metaboliteNames":"theaflavin","FOBI":"FOBI:030491","HMDB":"HMDB05788","PubChemCID":"114777","InChIKey":"MKTFRRIBCBTOKJ-CRFHJIRQSA-N","InChICode":"InChI=1S/C29H24O12/c30-12-4-17(32)14-8-20(35)28(40-22(14)6-12)11-1-10-2-16(25(37)27(39)24(10)26(38)19(34)3-11)29-21(36)9-15-18(33)5-13(31)7-23(15)41-29/h1-7,20-21,28-33,35-37,39H,8-9H2,(H,34,38)/t20-,21-,28-,29-/m1/s1","ChemSpider":"17216345"}
{"metaboliteNames":"4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid","FOBI":"FOBI:030492","PubChemCID":"52920332","InChIKey":"JDBYFCLHVYVXCX-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H14O5/c12-8(2-4-11(15)16)5-7-1-3-9(13)10(14)6-7/h1,3,6,8,12-14H,2,4-5H2,(H,15,16)"}
{"metaboliteNames":"4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 3'-glucuronide","FOBI":"FOBI:030493","InChIKey":"BKJQCPDRWDNBIN-UHFFFAOYSA-N","InChICode":"InChI=1S/C17H22O11/c18-8(2-4-11(20)21)5-7-1-3-9(19)10(6-7)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h1,3,6,8,12-15,17-19,22-24H,2,4-5H2,(H,20,21)(H,25,26)"}
{"metaboliteNames":"4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 4'-glucuronide","FOBI":"FOBI:030494","InChIKey":"LLKUARGHNZMSRT-UHFFFAOYSA-N","InChICode":"InChI=1S/C17H22O11/c18-8(2-4-11(20)21)5-7-1-3-10(9(19)6-7)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h1,3,6,8,12-15,17-19,22-24H,2,4-5H2,(H,20,21)(H,25,26)"}
{"metaboliteNames":"4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 3'-sulfate","FOBI":"FOBI:030495","InChIKey":"HROSNTXKMPHTSL-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H14O8S/c12-8(2-4-11(14)15)5-7-1-3-9(13)10(6-7)19-20(16,17)18/h1,3,6,8,12-13H,2,4-5H2,(H,14,15)(H,16,17,18)"}
{"metaboliteNames":"4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 4'-sulfate","FOBI":"FOBI:030496","InChIKey":"GSTPJGFSDIEVSY-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H14O8S/c12-8(2-4-11(14)15)5-7-1-3-10(9(13)6-7)19-20(16,17)18/h1,3,6,8,12-13H,2,4-5H2,(H,14,15)(H,16,17,18)"}
{"metaboliteNames":"5-(3'-hydroxyphenyl)-γ-valerolactone 3'-glucuronide","FOBI":"FOBI:030497","InChIKey":"DPSUQBKEHXAIDY-YHNANPAJSA-N","InChICode":"InChI=1S/C17H20O9/c18-11-5-4-10(24-11)7-8-2-1-3-9(6-8)25-17-14(21)12(19)13(20)15(26-17)16(22)23/h1-3,6,10,12-15,17,19-21H,4-5,7H2,(H,22,23)/t10?,12-,13-,14+,15-,17+/m0/s1"}
{"metaboliteNames":"5-(3'-hydroxyphenyl)-γ-valerolactone 3'-sulfate","FOBI":"FOBI:030498","PubChemCID":"124202065","InChIKey":"DPRDYFJWDRNYAZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H12O6S/c12-11-5-4-9(16-11)6-8-2-1-3-10(7-8)17-18(13,14)15/h1-3,7,9H,4-6H2,(H,13,14,15)"}
{"metaboliteNames":"5-(4'-hydroxyphenyl)-γ-valerolactone 4'-sulfate","FOBI":"FOBI:030499","InChIKey":"HWTHTKOQADEPQM-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H12O6S/c12-11-6-5-10(16-11)7-8-1-3-9(4-2-8)17-18(13,14)15/h1-4,10H,5-7H2,(H,13,14,15)"}
{"metaboliteNames":"5-(3',4'-dihydroxyphenyl)-γ-valerolactone","FOBI":"FOBI:030500","PubChemCID":"152432","InChIKey":"ZNXXWTPQHVLMQT-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H12O4/c12-9-3-1-7(6-10(9)13)5-8-2-4-11(14)15-8/h1,3,6,8,12-13H,2,4-5H2","ChemSpider":"134347"}
{"metaboliteNames":"5-(3',4'-dihydroxyphenyl)-γ-valerolactone 3'-glucuronide","FOBI":"FOBI:030501","InChIKey":"RALBOGKBFZBDKY-UHFFFAOYSA-N","InChICode":"InChI=1S/C18H22O10/c19-9-3-1-7(5-8-2-4-11(20)27-8)6-10(9)28-17-12(18(25)26)13(21)14(22)15(23)16(17)24/h1,3,6,8,12-17,19,21-24H,2,4-5H2,(H,25,26)"}
{"metaboliteNames":"5-(3',4'-dihydroxyphenyl)-γ-valerolactone 4'-glucuronide","FOBI":"FOBI:030502","PubChemCID":"124202077","InChIKey":"OTBJYBQGMPICIK-GHPVWUPISA-N","InChICode":"InChI=1S/C17H20O10/c18-9-6-7(5-8-2-4-11(19)25-8)1-3-10(9)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h1,3,6,8,12-15,17-18,20-22H,2,4-5H2,(H,23,24)/t8?,12-,13-,14+,15-,17+/m1/s1"}
{"metaboliteNames":"5-(3',4'-dihydroxyphenyl)-γ-valerolactone 3'-sulfate","FOBI":"FOBI:030503","InChIKey":"YAXFVDUJDAQPTJ-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H12O7S/c12-9-3-1-7(5-8-2-4-11(13)17-8)6-10(9)18-19(14,15)16/h1,3,6,8,12H,2,4-5H2,(H,14,15,16)"}
{"metaboliteNames":"5-(3',5'-dihydroxyphenyl)-γ-valerolactone glucuronide","FOBI":"FOBI:030504","PubChemCID":"124202085","InChIKey":"RUSMDDXSDLDLKU-PHPHFFAHSA-N","InChICode":"InChI=1S/C17H20O10/c18-8-3-7(4-9-1-2-11(19)25-9)5-10(6-8)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h3,5-6,9,12-15,17-18,20-22H,1-2,4H2,(H,23,24)/t9?,12-,13-,14+,15-,17+/m0/s1"}
{"metaboliteNames":"5-(3',5'-dihydroxyphenyl)-γ-valerolactone sulfate","FOBI":"FOBI:030505","InChIKey":"CVGUPVHDNVLHLW-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H12O7S/c12-8-3-7(4-9-1-2-11(13)17-9)5-10(6-8)18-19(14,15)16/h3,5-6,9,12H,1-2,4H2,(H,14,15,16)"}
{"metaboliteNames":"5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone","FOBI":"FOBI:030506","PubChemCID":"44389277","InChIKey":"CZVAQLJEUUFQCH-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H12O5/c12-8-4-6(5-9(13)11(8)15)3-7-1-2-10(14)16-7/h4-5,7,12-13,15H,1-3H2"}
{"metaboliteNames":"5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone 3'-glucuronide","FOBI":"FOBI:030507","InChIKey":"VQHXMQYHVVQQFP-CXWHQSFFSA-N","InChICode":"InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(19)26-7)5-9(11(8)20)27-17-14(23)12(21)13(22)15(28-17)16(24)25/h4-5,7,12-15,17-18,20-23H,1-3H2,(H,24,25)/t7?,12-,13-,14+,15-,17?/m0/s1"}
{"metaboliteNames":"5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone 4'-glucuronide","FOBI":"FOBI:030508","InChIKey":"ATYNVCXMADLPJQ-YSVLGHOVSA-N","InChICode":"InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(20)26-7)5-9(19)14(8)27-17-13(23)11(21)12(22)15(28-17)16(24)25/h4-5,7,11-13,15,17-19,21-23H,1-3H2,(H,24,25)/t7?,11-,12-,13+,15-,17+/m0/s1"}
{"metaboliteNames":"5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone 3'-sulfate","FOBI":"FOBI:030509","InChIKey":"OMISYDASOKPVDK-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H12O8S/c12-8-4-6(3-7-1-2-10(13)18-7)5-9(11(8)14)19-20(15,16)17/h4-5,7,12,14H,1-3H2,(H,15,16,17)"}
{"metaboliteNames":"5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone 4'-sulfate","FOBI":"FOBI:030510","InChIKey":"NPIMUIQBYBJSBB-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H12O8S/c12-8-4-6(3-7-1-2-10(14)18-7)5-9(13)11(8)19-20(15,16)17/h4-5,7,12-13H,1-3H2,(H,15,16,17)"}
{"metaboliteNames":"5-(3'-methoxy-4'-hydroxyphenyl)-γ-valerolactone","FOBI":"FOBI:030511","PubChemCID":"3028410","InChIKey":"GCIFEQYZDROELP-UHFFFAOYSA-N","InChICode":"InChI=1S/C12H14O4/c1-15-11-7-8(2-4-10(11)13)6-9-3-5-12(14)16-9/h2,4,7,9,13H,3,5-6H2,1H3","ChemSpider":"2293832"}
{"metaboliteNames":"5-(3'-methoxy-4'-hydroxyphenyl)-γ-valerolactone glucuronide","FOBI":"FOBI:030512","InChIKey":"NGMVEYPQYAIGEI-UHFFFAOYSA-N","InChICode":"InChI=1S/C18H22O10/c1-25-11-7-8(6-9-3-5-12(19)26-9)2-4-10(11)27-18-15(22)13(20)14(21)16(28-18)17(23)24/h2,4,7,9,13-16,18,20-22H,3,5-6H2,1H3,(H,23,24)"}
{"metaboliteNames":"5-(3'-methoxy-4'-hydroxyphenyl)-γ-valerolactone sulfate","FOBI":"FOBI:030513","InChIKey":"FYRRHCSCZYSADR-UHFFFAOYSA-N","InChICode":"InChI=1S/C12H14O7S/c1-17-11-7-8(6-9-3-5-12(13)18-9)2-4-10(11)19-20(14,15)16/h2,4,7,9H,3,5-6H2,1H3,(H,14,15,16)"}
{"metaboliteNames":"naringenin 7-glucuronide","FOBI":"FOBI:030515","PubChemCID":"51136360","InChIKey":"BDCRTIDKZGEVEN-DNPGXZAYSA-N","InChICode":"InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16-,17-,18+,19-,21+/m0/s1"}
{"metaboliteNames":"hesperetin","FOBI":"FOBI:030518","HMDB":"HMDB05782","KEGG":"C01709","PubChemCID":"72281","InChIKey":"AIONOLUJZLIMTK-AWEZNQCLSA-N","InChICode":"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1","ChemSpider":"65234"}
{"metaboliteNames":"hesperetin 3'-glucuronide","FOBI":"FOBI:030519","PubChemCID":"46896123","InChIKey":"PJAUEKWZQWLQSU-WDXLFLMVSA-N","InChICode":"InChI=1S/C22H22O12/c1-31-12-3-2-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)4-14(12)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t13?,17-,18-,19+,20-,22+/m0/s1"}
{"metaboliteNames":"hesperetin 7-glucuronide","FOBI":"FOBI:030520","PubChemCID":"71777476","InChIKey":"NEAWXAXVQDDFJL-PLEVBHNASA-N","InChICode":"InChI=1S/C22H22O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,14,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t14?,17-,18-,19+,20-,22+/m0/s1"}
{"metaboliteNames":"hesperetin 7-sulfate","FOBI":"FOBI:030521","InChIKey":"SKHOIXCPISQFMS-AWEZNQCLSA-N","InChICode":"InChI=1S/C16H14O9S/c1-23-13-3-2-8(4-10(13)17)14-7-12(19)16-11(18)5-9(6-15(16)24-14)25-26(20,21)22/h2-6,14,17-18H,7H2,1H3,(H,20,21,22)/t14-/m0/s1"}
{"metaboliteNames":"bergaptol glucuronide","FOBI":"FOBI:030524","InChIKey":"VLWJVRACXDFSKC-UHFFFAOYSA-N","InChICode":"InChI=1S/C17H14O10/c18-10-2-1-6-9(25-10)5-8-7(3-4-24-8)14(6)26-17-13(21)11(19)12(20)15(27-17)16(22)23/h1-5,11-13,15,17,19-21H,(H,22,23)"}
{"metaboliteNames":"bergaptol sulfate","FOBI":"FOBI:030525","InChIKey":"MUJRAVJMPBKDAH-UHFFFAOYSA-","InChICode":"InChI=1S/C11H6O7S/c12-10-2-1-6-9(17-10)5-8-7(3-4-16-8)11(6)18-19(13,14)15/h1-5H,(H,13,14,15)"}
{"metaboliteNames":"umbelliferone glucuronide","FOBI":"FOBI:030526","PubChemCID":"125641","InChIKey":"PRYLPCLGPXGILY-DKBOKBLXSA-N","InChICode":"InChI=1S/C15H14O9/c16-9-4-2-6-1-3-7(5-8(6)23-9)22-15-12(19)10(17)11(18)13(24-15)14(20)21/h1-5,10-13,15,17-19H,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1"}
{"metaboliteNames":"umbelliferone sulfate","FOBI":"FOBI:030527","InChIKey":"LJOOSFYJELZGMR-UHFFFAOYSA-M","InChICode":"InChI=1S/C9H6O6S/c10-9-4-2-6-1-3-7(5-8(6)14-9)15-16(11,12)13/h1-5H,(H,11,12,13)/p-1"}
{"metaboliteNames":"daidzein 4'-glucuronide","FOBI":"FOBI:030531","PubChemCID":"23930394","InChIKey":"ATUYSKUVHUPXBV-ZFORQUDYSA-N","InChICode":"InChI=1S/C21H18O10/c22-10-3-6-12-14(7-10)29-8-13(15(12)23)9-1-4-11(5-2-9)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1"}
{"metaboliteNames":"daidzein 7-glucuronide","FOBI":"FOBI:030532","PubChemCID":"11316354","InChIKey":"MMIBOZXVZLENRZ-ZFORQUDYSA-N","InChICode":"InChI=1S/C21H18O10/c22-10-3-1-9(2-4-10)13-8-29-14-7-11(5-6-12(14)15(13)23)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1","ChemSpider":"9491321"}
{"metaboliteNames":"daidzein diglucuronide","FOBI":"FOBI:030533","InChIKey":"NSJKNMPSMHSBQD-MWBUVXCNSA-N","InChICode":"InChI=1S/C27H26O16/c28-15-12-6-5-11(41-27-21(34)17(30)19(32)23(43-27)25(37)38)7-14(12)39-8-13(15)9-1-3-10(4-2-9)40-26-20(33)16(29)18(31)22(42-26)24(35)36/h1-8,16-23,26-27,29-34H,(H,35,36)(H,37,38)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27+/m0/s1"}
{"metaboliteNames":"daidzein 7-glucuronide-4'-sulfate","FOBI":"FOBI:030534","InChIKey":"GFHHFNZYJNKWPT-ZFORQUDYSA-N","InChICode":"InChI=1S/C21H18O13S/c22-15-12-6-5-11(32-21-18(25)16(23)17(24)19(33-21)20(26)27)7-14(12)31-8-13(15)9-1-3-10(4-2-9)34-35(28,29)30/h1-8,16-19,21,23-25H,(H,26,27)(H,28,29,30)/t16-,17-,18+,19-,21+/m0/s1"}
{"metaboliteNames":"daidzein 4'-glucuronide-7-sulfate","FOBI":"FOBI:030535","InChIKey":"HQYWZCFQCBVQJZ-HGMWCATMSA-N","InChICode":"InChI=1S/C21H18O13S/c22-15-12-6-5-11(34-35(28,29)30)7-14(12)31-8-13(15)9-1-3-10(4-2-9)32-21-18(25)16(23)17(24)19(33-21)20(26)27/h1-8,16-19,21,23-25H,(H,26,27)(H,28,29,30)/t16-,17?,18?,19-,21+/m1/s1"}
{"metaboliteNames":"daidzein 4'-sulfate","FOBI":"FOBI:030536","PubChemCID":"12114463","InChIKey":"CQRHJEVIKOKQMO-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O7S/c16-10-3-6-12-14(7-10)21-8-13(15(12)17)9-1-4-11(5-2-9)22-23(18,19)20/h1-8,16H,(H,18,19,20)","ChemSpider":"13076689"}
{"metaboliteNames":"genistein 4'-glucuronide","FOBI":"FOBI:030538","PubChemCID":"45782816","InChIKey":"NHEBJNCJBWUPCK-ZFORQUDYSA-N","InChICode":"InChI=1S/C21H18O11/c22-9-5-12(23)14-13(6-9)30-7-11(15(14)24)8-1-3-10(4-2-8)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1"}
{"metaboliteNames":"genistein 7-glucuronide","FOBI":"FOBI:030539","PubChemCID":"15940724","InChIKey":"JIVINIISUDEORF-ZFORQUDYSA-N","InChICode":"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-13-6-10(5-12(23)14(13)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1","ChemSpider":"13083403"}
{"metaboliteNames":"genistein diglucuronide","FOBI":"FOBI:030540","InChIKey":"DFJSPRNCKDBZIJ-MWBUVXCNSA-N","InChICode":"InChI=1S/C27H26O17/c28-12-5-10(42-27-21(35)17(31)19(33)23(44-27)25(38)39)6-13-14(12)15(29)11(7-40-13)8-1-3-9(4-2-8)41-26-20(34)16(30)18(32)22(43-26)24(36)37/h1-7,16-23,26-28,30-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27+/m0/s1"}
{"metaboliteNames":"genistein 4'-glucuronide-7-sulfate","FOBI":"FOBI:030541","InChIKey":"SQCSMLZKGFBVFL-ZFORQUDYSA-N","InChICode":"InChI=1S/C21H18O14S/c22-12-5-10(35-36(29,30)31)6-13-14(12)15(23)11(7-32-13)8-1-3-9(4-2-8)33-21-18(26)16(24)17(25)19(34-21)20(27)28/h1-7,16-19,21-22,24-26H,(H,27,28)(H,29,30,31)/t16-,17-,18+,19-,21+/m0/s1"}
{"metaboliteNames":"genistein 7-glucuronide-4'-sulfate","FOBI":"FOBI:030542","InChIKey":"JZFIWABEFJYNRS-DSGPYVBMSA-L","InChICode":"InChI=1S/C21H18O14S.2Na/c22-12-5-10(33-21-18(26)16(24)17(25)19(34-21)20(27)28)6-13-14(12)15(23)11(7-32-13)8-1-3-9(4-2-8)35-36(29,30)31;;/h1-7,16-19,21-22,24-26H,(H,27,28)(H,29,30,31);;/q;2*+1/p-2/t16-,17-,18+,19-,21+;;/m0../s1"}
{"metaboliteNames":"genistein 7-sulfate","FOBI":"FOBI:030543","PubChemCID":"10291508","InChIKey":"DKEIWIJUHWVGRC-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O8S/c16-9-3-1-8(2-4-9)11-7-22-13-6-10(23-24(19,20)21)5-12(17)14(13)15(11)18/h1-7,16-17H,(H,19,20,21)","ChemSpider":"8466977"}
{"metaboliteNames":"equol 7-glucuronide","FOBI":"FOBI:030545","PubChemCID":"29979359","InChIKey":"XDPLKWRSVXUQBN-LVEHSUOCSA-N","InChICode":"InChI=1S/C21H22O9/c22-13-4-1-10(2-5-13)12-7-11-3-6-14(8-15(11)28-9-12)29-21-18(25)16(23)17(24)19(30-21)20(26)27/h1-6,8,12,16-19,21-25H,7,9H2,(H,26,27)/t12-,16+,17+,18-,19+,21-/m1/s1"}
{"metaboliteNames":"equol 4'-sulfate","FOBI":"FOBI:030546","InChIKey":"UXOJWGSGKUYMIA-GFCCVEGCSA-M","InChICode":"InChI=1S/C15H14O6S/c16-13-4-1-11-7-12(9-20-15(11)8-13)10-2-5-14(6-3-10)21-22(17,18)19/h1-6,8,12,16H,7,9H2,(H,17,18,19)/p-1/t12-/m1/s1"}
{"metaboliteNames":"biochanin a 7-glucuronide","FOBI":"FOBI:030548","InChIKey":"KXYGEGYBMOCKNJ-SXFAUFNYSA-N","InChICode":"InChI=1S/C22H20O11/c1-30-10-4-2-9(3-5-10)12-8-31-14-7-11(6-13(23)15(14)16(12)24)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1"}
{"metaboliteNames":"biochanin a 7-sulfate","FOBI":"FOBI:030549","InChIKey":"XSOANDKYUDOEER-UHFFFAOYSA-N","InChICode":"InChI=1S/C16H12O8S/c1-22-10-4-2-9(3-5-10)12-8-23-14-7-11(24-25(19,20)21)6-13(17)15(14)16(12)18/h2-8,17H,1H3,(H,19,20,21)"}
{"metaboliteNames":"formononetin 7-glucuronide","FOBI":"FOBI:030551","InChIKey":"KDULJPKZESDTFK-SXFAUFNYSA-N","InChICode":"InChI=1S/C22H20O10/c1-29-11-4-2-10(3-5-11)15-9-14(23)13-7-6-12(8-16(13)31-15)30-22-19(26)17(24)18(25)20(32-22)21(27)28/h2-9,17-20,22,24-26H,1H3,(H,27,28)/t17-,18-,19+,20-,22+/m0/s1"}
{"metaboliteNames":"formononetin 7-sulfate","FOBI":"FOBI:030552","InChIKey":"DSZBEWXQBVATQX-UHFFFAOYSA-N","InChICode":"InChI=1S/C16H12O7S/c1-21-11-4-2-10(3-5-11)14-9-22-15-8-12(23-24(18,19)20)6-7-13(15)16(14)17/h2-9H,1H3,(H,18,19,20)"}
{"metaboliteNames":"apigenin 7-glucuronide","FOBI":"FOBI:030554","PubChemCID":"5319484","InChIKey":"JBFOLLJCGUCDQP-ZFORQUDYSA-N","InChICode":"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1","ChemSpider":"4477775"}
{"metaboliteNames":"luteolin 7-glucuronide","FOBI":"FOBI:030557","KEGG":"C03515","PubChemCID":"5280601","InChIKey":"VSUOKLTVXQRUSG-ZFORQUDYSA-N","InChICode":"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1","ChemSpider":"4444211"}
{"metaboliteNames":"quercetin 3-glucuronide","FOBI":"FOBI:030559","PubChemCID":"12004528","InChIKey":"DUBCCGAQYVUYEU-UHFFFAOYSA-N","InChICode":"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)","ChemSpider":"10176995"}
{"metaboliteNames":"quercetin 3'-glucuronide","FOBI":"FOBI:030560","PubChemCID":"11655911","InChIKey":"LBJLXDMWOKJIPQ-JENRNSKYSA-N","InChICode":"InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1"}
{"metaboliteNames":"quercetin 3'-sulfate","FOBI":"FOBI:030561","PubChemCID":"21676162","InChIKey":"OSCLBBUATYLBQA-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O10S/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-8(17)10(3-6)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)"}
{"metaboliteNames":"isorhamnetin 3-glucuronide","FOBI":"FOBI:030563","PubChemCID":"5491630","InChIKey":"VVZWHOMBDMMRSC-NTKSAMNMSA-N","InChICode":"InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1","ChemSpider":"4590613"}
{"metaboliteNames":"isorhamnetin 3-sulfate","FOBI":"FOBI:030564","PubChemCID":"44123491","InChIKey":"CZFNXFXZXWDYMZ-UHFFFAOYSA-L","InChICode":"InChI=1S/C16H12O10S/c1-24-11-4-7(2-3-9(11)18)15-16(26-27(21,22)23)14(20)13-10(19)5-8(17)6-12(13)25-15/h2-6,17-19H,1H3,(H,21,22,23)/p-2"}
{"metaboliteNames":"kaempferol 3-sulfate","FOBI":"FOBI:030567","PubChemCID":"44259052","InChIKey":"VOYLAWHADGDBIE-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O9S/c16-8-3-1-7(2-4-8)14-15(24-25(20,21)22)13(19)12-10(18)5-9(17)6-11(12)23-14/h1-6,16-18H,(H,20,21,22)"}
{"metaboliteNames":"phloretin glucuronide","FOBI":"FOBI:030569","PubChemCID":"9889961","InChIKey":"YFJJAJIWPWXWJJ-ZFORQUDYSA-N","InChICode":"InChI=1S/C21H22O11/c22-10-4-1-9(2-5-10)3-6-12(24)15-13(25)7-11(23)8-14(15)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h1-2,4-5,7-8,16-19,21-23,25-28H,3,6H2,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1","ChemSpider":"8065632"}
{"metaboliteNames":"urolithin a","FOBI":"FOBI:030570","PubChemCID":"5488186","InChIKey":"RIUPLDUFZCXCHM-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H","ChemSpider":"4589709"}
{"metaboliteNames":"urolithin b","FOBI":"FOBI:030573","PubChemCID":"5380406","InChIKey":"WXUQMTRHPNOXBV-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H","ChemSpider":"4528673"}
{"metaboliteNames":"urolithin b glucuronide","FOBI":"FOBI:030574","PubChemCID":"101495881","InChIKey":"MHBWCULXQBVPQT-KSPMYQCISA-N","InChICode":"InChI=1S/C19H16O9/c20-13-14(21)16(17(23)24)28-19(15(13)22)26-8-5-6-10-9-3-1-2-4-11(9)18(25)27-12(10)7-8/h1-7,13-16,19-22H,(H,23,24)/t13-,14-,15+,16-,19+/m0/s1"}
{"metaboliteNames":"urolithin b sulfate","FOBI":"FOBI:030575","InChIKey":"LRRVKQQFGIEMSA-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H8O6S/c14-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)18-13)19-20(15,16)17/h1-7H,(H,15,16,17)"}
{"metaboliteNames":"urolithin c","FOBI":"FOBI:030576","PubChemCID":"60198001","InChIKey":"HHXMEXZVPJFAIJ-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H8O5/c14-6-1-2-7-8-4-10(15)11(16)5-9(8)13(17)18-12(7)3-6/h1-5,14-16H"}
{"metaboliteNames":"urolithin c 3-glucuronide","FOBI":"FOBI:030577","InChIKey":"DDAQYQCCOWZGDO-KSPMYQCISA-N","InChICode":"InChI=1S/C19H16O11/c20-10-4-8-7-2-1-6(3-12(7)29-18(27)9(8)5-11(10)21)28-19-15(24)13(22)14(23)16(30-19)17(25)26/h1-5,13-16,19-24H,(H,25,26)/t13-,14-,15+,16-,19+/m0/s1"}
{"metaboliteNames":"urolithin c 3-sulfate","FOBI":"FOBI:030578","InChIKey":"AIWPERSXONUOOZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H8O8S/c14-10-4-8-7-2-1-6(21-22(17,18)19)3-12(7)20-13(16)9(8)5-11(10)15/h1-5,14-15H,(H,17,18,19)"}
{"metaboliteNames":"tyrosol glucuronide","FOBI":"FOBI:030580","InChIKey":"HEIHXCBRTPYOMU-BYNIDDHOSA-N","InChICode":"InChI=1S/C14H18O8/c15-6-5-7-1-3-8(4-2-7)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h1-4,9-12,14-18H,5-6H2,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1"}
{"metaboliteNames":"tyrosol sulfate","FOBI":"FOBI:030581","InChIKey":"VCRXMIQBQGCAAL-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H10O5S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4,9H,5-6H2,(H,10,11,12)"}
{"metaboliteNames":"hydroxytyrosol 3'-glucuronide","FOBI":"FOBI:030583","InChIKey":"CPHMFZSEPDNJAZ-BYNIDDHOSA-N","InChICode":"InChI=1S/C14H18O9/c15-4-3-6-1-2-7(16)8(5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14-19H,3-4H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1"}
{"metaboliteNames":"hydroxytyrosol 4'-glucuronide","FOBI":"FOBI:030584","InChIKey":"JMDNSUMWVYKARS-BYNIDDHOSA-N","InChICode":"InChI=1S/C14H18O9/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14-19H,3-4H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1"}
{"metaboliteNames":"hydroxytyrosol 3'-sulfate","FOBI":"FOBI:030585","PubChemCID":"71749404","InChIKey":"BZTHVCCNFBAISK-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H10O6S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,9-10H,3-4H2,(H,11,12,13)"}
{"metaboliteNames":"hydroxytyrosol 4'-sulfate","FOBI":"FOBI:030586","PubChemCID":"71749405","InChIKey":"VNPXBLBTQUFCHO-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H10O6S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,9-10H,3-4H2,(H,11,12,13)"}
{"metaboliteNames":"homovanillyl alcohol","FOBI":"FOBI:030587","PubChemCID":"16928","InChIKey":"XHUBSJRBOQIZNI-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3"}
{"metaboliteNames":"homovanillyl alcohol glucuronide","FOBI":"FOBI:030588","InChIKey":"FPHRLHBSOJUFOE-DKBOKBLXSA-N","InChICode":"InChI=1S/C15H20O9/c1-22-9-6-7(4-5-16)2-3-8(9)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-3,6,10-13,15-19H,4-5H2,1H3,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1"}
{"metaboliteNames":"homovanillyl alcohol sulfate","FOBI":"FOBI:030589","InChIKey":"LWTDOJAWTHMBFG-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H12O6S/c1-14-9-6-7(4-5-10)2-3-8(9)15-16(11,12)13/h2-3,6,10H,4-5H2,1H3,(H,11,12,13)"}
{"metaboliteNames":"trans-resveratrol 3-glucuronide","FOBI":"FOBI:030592","PubChemCID":"5273285","InChIKey":"QWSAYEBSTMCFKY-OTPOQTMVSA-N","InChICode":"InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1","ChemSpider":"4437760"}
{"metaboliteNames":"trans-resveratrol 4'-glucuronide","FOBI":"FOBI:030593","PubChemCID":"5273284","InChIKey":"CDEBVTGYVFHDMA-OTPOQTMVSA-N","InChICode":"InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1","ChemSpider":"4437759"}
{"metaboliteNames":"cis-resveratrol 3-glucuronide","FOBI":"FOBI:030594","PubChemCID":"29986850","InChIKey":"QWSAYEBSTMCFKY-BMPGWQKJSA-N","InChICode":"InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1-/t15-,16-,17+,18-,20+/m0/s1"}
{"metaboliteNames":"cis-resveratrol 4'-glucuronide","FOBI":"FOBI:030595","PubChemCID":"71752003","InChIKey":"CDEBVTGYVFHDMA-BMPGWQKJSA-N","InChICode":"InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1-/t15-,16-,17+,18-,20+/m0/s1"}
{"metaboliteNames":"trans-resveratrol 4'-sulfate","FOBI":"FOBI:030597","PubChemCID":"29986833","InChIKey":"KOTTWDFKZULRPN-OWOJBTEDSA-N","InChICode":"InChI=1S/C14H12O6S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+"}
{"metaboliteNames":"cis-resveratrol 3-sulfate","FOBI":"FOBI:030598","PubChemCID":"129848988","InChIKey":"DULQFFCIVGYOFH-UPHRSURJSA-N","InChICode":"InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1-"}
{"metaboliteNames":"cis-resveratrol 4'-sulfate","FOBI":"FOBI:030599","PubChemCID":"97107241","InChIKey":"KOTTWDFKZULRPN-UPHRSURJSA-N","InChICode":"InChI=1S/C14H12O6S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1-"}
{"metaboliteNames":"dihydroresveratrol 4'-glucuronide","FOBI":"FOBI:030602","InChIKey":"MATKIWLWARSJPU-HBWRTXEVSA-N","InChICode":"InChI=1S/C20H22O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h3-9,15-18,20-25H,1-2H2,(H,26,27)/t15-,16-,17+,18-,20+/m0/s1"}
{"metaboliteNames":"dihydroresveratrol 4'-sulfate","FOBI":"FOBI:030604","InChIKey":"VPKVLRCNQRSXLW-UHFFFAOYSA-N","InChICode":"InChI=1S/C14H14O6S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20-21(17,18)19/h3-9,15-16H,1-2H2,(H,17,18,19)"}
{"metaboliteNames":"piceid 3-glucuronide","FOBI":"FOBI:030606","InChIKey":"SSZYARBRHYOZQM-OWOJBTEDSA-N","InChICode":"InChI=1S/C26H30O14/c27-10-16-17(29)18(30)21(33)25(39-16)37-14-7-12(2-1-11-3-5-13(28)6-4-11)8-15(9-14)38-26-22(34)19(31)20(32)23(40-26)24(35)36/h1-9,16-23,25-34H,10H2,(H,35,36)/b2-1+"}
{"metaboliteNames":"piceid 4'-glucuronide","FOBI":"FOBI:030607","InChIKey":"PHLZFRGLHZUWLW-OWOJBTEDSA-N","InChICode":"InChI=1S/C26H30O14/c27-10-16-17(29)18(30)21(33)25(39-16)38-15-8-12(7-13(28)9-15)2-1-11-3-5-14(6-4-11)37-26-22(34)19(31)20(32)23(40-26)24(35)36/h1-9,16-23,25-34H,10H2,(H,35,36)/b2-1+"}
{"metaboliteNames":"piceid 3-sulfate","FOBI":"FOBI:030608","InChIKey":"WYPZTOJGOQAJJD-CUYWLFDKSA-N","InChICode":"InChI=1S/C20H22O11S/c21-10-16-17(23)18(24)19(25)20(30-16)29-14-7-12(8-15(9-14)31-32(26,27)28)2-1-11-3-5-13(22)6-4-11/h1-9,16-25H,10H2,(H,26,27,28)/b2-1+/t16-,17-,18+,19-,20-/m1/s1"}
{"metaboliteNames":"piceid 4'-sulfate","FOBI":"FOBI:030609","InChIKey":"OPXYKICHKIQGOV-CUYWLFDKSA-N","InChICode":"InChI=1S/C20H22O11S/c21-10-16-17(23)18(24)19(25)20(30-16)29-15-8-12(7-13(22)9-15)2-1-11-3-5-14(6-4-11)31-32(26,27)28/h1-9,16-25H,10H2,(H,26,27,28)/b2-1+/t16-,17-,18+,19-,20-/m1/s1"}
{"metaboliteNames":"curcumin glucuronide","FOBI":"FOBI:030610","PubChemCID":"71315012","InChIKey":"BNSAVBGHRVFVNN-XSCLDSQRSA-N","InChICode":"InChI=1S/C27H28O12/c1-36-20-11-14(5-9-18(20)30)3-7-16(28)13-17(29)8-4-15-6-10-19(21(12-15)37-2)38-27-24(33)22(31)23(32)25(39-27)26(34)35/h3-12,22-25,27,30-33H,13H2,1-2H3,(H,34,35)/b7-3+,8-4+/t22-,23-,24+,25-,27+/m0/s1"}
{"metaboliteNames":"curcumin sulfate","FOBI":"FOBI:030611","InChIKey":"NEJVQQBBTRFOHB-FCXRPNKRSA-N","InChICode":"InChI=1S/C21H20O9S/c1-28-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(21(12-15)29-2)30-31(25,26)27/h3-12,24H,13H2,1-2H3,(H,25,26,27)/b7-3+,8-4+"}
{"metaboliteNames":"enterolactone","FOBI":"FOBI:030612","HMDB":"HMDB06101","PubChemCID":"123917","InChIKey":"HVDGDHBAMCBBLR-UHFFFAOYSA-N","InChICode":"InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2"}
{"metaboliteNames":"enterolactone 3'-glucuronide","FOBI":"FOBI:030613","InChIKey":"YIGJPNKBAAZMPC-NBSJFAFNSA-N","InChICode":"InChI=1S/C24H26O10/c25-15-5-1-3-12(8-15)7-14-11-32-23(31)17(14)10-13-4-2-6-16(9-13)33-24-20(28)18(26)19(27)21(34-24)22(29)30/h1-6,8-9,14,17-21,24-28H,7,10-11H2,(H,29,30)/t14-,17+,18+,19+,20-,21+,24-/m1/s1"}
{"metaboliteNames":"enterolactone 3'-sulfate","FOBI":"FOBI:030614","InChIKey":"CGSFDOCYHBJLFW-PBHICJAKSA-N","InChICode":"InChI=1S/C18H18O7S/c19-15-5-1-3-12(8-15)7-14-11-24-18(20)17(14)10-13-4-2-6-16(9-13)25-26(21,22)23/h1-6,8-9,14,17,19H,7,10-11H2,(H,21,22,23)/t14-,17+/m1/s1"}
{"metaboliteNames":"enterodiol glucuronide","FOBI":"FOBI:030616","InChICode":"InChI=1S/C24H30O10/c25-11-15(7-13-3-1-5-17(27)9-13)16(12-26)8-14-4-2-6-18(10-14)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h1-6,9-10,15-16,19-22,24-30H,7-8,11-12H2,(H,31,32)/t15-,16-,19-,20-,21+,22-,24+/m0/s1"}
{"metaboliteNames":"enterodiol sulfate","FOBI":"FOBI:030617","InChICode":"InChI=1S/C18H22O7S/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(10-14)25-26(22,23)24/h1-6,9-10,15-16,19-21H,7-8,11-12H2,(H,22,23,24)/t15-,16-/m0/s1"}
{"metaboliteNames":"isoxanthohumol","FOBI":"FOBI:030618","PubChemCID":"513197","InChIKey":"YKGCBLWILMDSAV-UHFFFAOYSA-N","InChICode":"InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3","ChemSpider":"447736"}
{"metaboliteNames":"n-(2-hydroxyphenyl)acetamide","FOBI":"FOBI:030619","PubChemCID":"11972","InChIKey":"ADVGKWPZRIDURE-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)","ChemSpider":"14604154"}
{"metaboliteNames":"n-(2-hydroxyphenyl)acetamide glucuronide","FOBI":"FOBI:030620","InChIKey":"PRQFWBNVZNICDN-JUSQZNFGSA-N","InChICode":"InChI=1S/C13H15NO9/c15-7-8(16)10(11(18)19)23-12(9(7)17)22-6-4-2-1-3-5(6)14-13(20)21/h1-4,7-10,12,14-17H,(H,18,19)(H,20,21)/t7-,8?,9?,10-,12+/m0/s1"}
{"metaboliteNames":"n-(2-hydroxyphenyl)acetamide sulfate","FOBI":"FOBI:030621","PubChemCID":"181671","InChIKey":"JCVGTUVGDOWZJE-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H9NO5S/c1-6(10)9-7-4-2-3-5-8(7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)"}
{"metaboliteNames":"1-hydroxypyrene glucuronide","FOBI":"FOBI:030622","PubChemCID":"59751652","InChIKey":"BUCREAQPYGLZLI-SXFAUFNYSA-N","InChICode":"InChI=1S/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1"}
{"metaboliteNames":"atractyligenin 2-glucuronide","FOBI":"FOBI:030623","InChICode":"InChI=1S/C25H36O10/c1-10-11-3-4-15-24(2)9-12(34-23-18(28)16(26)17(27)19(35-23)22(32)33)7-13(21(30)31)14(24)5-6-25(15,8-11)20(10)29/h11-20,23,26-29H,1,3-9H2,2H3,(H,30,31)(H,32,33)/t11-,12-,13-,14-,15+,16+,17+,18-,19+,20+,23-,24-,25-/m1/s1"}
{"metaboliteNames":"acesulfame k","FOBI":"FOBI:030624","KEGG":"D08836","PubChemCID":"11074431","InChIKey":"WBZFUFAFFUEMEI-UHFFFAOYSA-M","InChICode":"InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1","ChemSpider":"55940"}
{"metaboliteNames":"ethyl glucuronide","FOBI":"FOBI:030628","HMDB":"HMDB10325","PubChemCID":"18392195","InChIKey":"IWJBVMJWSPZNJH-UQGZVRACSA-N","InChICode":"InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1","ChemSpider":"19355701"}
{"metaboliteNames":"ethyl sulfate","FOBI":"FOBI:030629","PubChemCID":"57448826","InChIKey":"KIWBPDUYBMNFTB-UHFFFAOYSA-N","InChICode":"InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)","ChemSpider":"14206177"}
{"metaboliteNames":"cyanidin 3-glucoside","FOBI":"FOBI:030633","PubChemCID":"197081","InChIKey":"YTMNONATNXDQJF-UBNZBFALSA-N","InChICode":"InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17-,18+,19-,21-;/m1./s1"}
{"metaboliteNames":"peonidin 3-glucoside","FOBI":"FOBI:030637","KEGG":"C12141","PubChemCID":"443654","InChIKey":"ZZWPMFROUHHAKY-OUUKCGNVSA-O","InChICode":"InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1","ChemSpider":"391786"}
{"metaboliteNames":"petunidin 3-glucoside","FOBI":"FOBI:030638","PubChemCID":"176449","InChIKey":"HBKZHMZCXXQMOX-YATQZQGFSA-N","InChICode":"InChI=1S/C22H22O12.ClH/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22;/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27);1H/t16-,18-,19+,20-,22-;/m1./s1"}
{"metaboliteNames":"sulforaphane","FOBI":"FOBI:030639","HMDB":"HMDB05792","PubChemCID":"5350","InChIKey":"SUVMJBTUFCVSAD-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3"}
{"metaboliteNames":"sulforaphane-cysteine","FOBI":"FOBI:030640","PubChemCID":"10402443","InChIKey":"PUPMSTCTVNEOCX-ISJKBYAMSA-N","InChICode":"InChI=1S/C9H18N2O3S3/c1-17(14)5-3-2-4-11-9(15)16-6-7(10)8(12)13/h7H,2-6,10H2,1H3,(H,11,15)(H,12,13)/t7-,17?/m0/s1","ChemSpider":"8577881"}
{"metaboliteNames":"sulforaphane-n-acetyl-cysteine","FOBI":"FOBI:030641","PubChemCID":"71772353","InChIKey":"IIHBKTCHILXGOT-KMYGYIBBSA-N","InChICode":"InChI=1S/C11H20N2O4S3/c1-8(14)13-9(10(15)16)7-19-11(18)12-5-3-4-6-20(2)17/h9H,3-7H2,1-2H3,(H,12,18)(H,13,14)(H,15,16)/t9-,20?/m0/s1"}
{"metaboliteNames":"sulforaphane-cysteine-glycine","FOBI":"FOBI:030642","InChIKey":"XXNFGCPBPYXDGU-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H21N3O4S3/c1-21(18)5-3-2-4-13-11(19)20-7-8(12)10(17)14-6-9(15)16/h8H,2-7,12H2,1H3,(H,13,19)(H,14,17)(H,15,16)"}
{"metaboliteNames":"sulforaphane-glutathione","FOBI":"FOBI:030643","PubChemCID":"45040448","InChIKey":"ROARKYNVUQLTDP-QGQIPBJJSA-N","InChICode":"InChI=1S/C16H28N4O7S3/c1-30(27)7-3-2-6-18-16(28)29-9-11(14(24)19-8-13(22)23)20-12(21)5-4-10(17)15(25)26/h10-11H,2-9,17H2,1H3,(H,18,28)(H,19,24)(H,20,21)(H,22,23)(H,25,26)/t10-,11-,30?/m0/s1"}
{"metaboliteNames":"iberin","FOBI":"FOBI:030644","HMDB":"HMDB06095","PubChemCID":"10455","InChIKey":"LELAOEBVZLPXAZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3"}
{"metaboliteNames":"iberin-cysteine","FOBI":"FOBI:030645","InChIKey":"TVMBFSAEYQAFEF-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H16N2O3S3/c1-16(13)4-2-3-10-8(14)15-5-6(9)7(11)12/h6H,2-5,9H2,1H3,(H,10,14)(H,11,12)"}
{"metaboliteNames":"iberin-n-acetyl-cysteine","FOBI":"FOBI:030646","InChIKey":"RBVJIAJZFANPKT-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H18N2O4S3/c1-7(13)12-8(9(14)15)6-18-10(17)11-4-3-5-19(2)16/h8H,3-6H2,1-2H3,(H,11,17)(H,12,13)(H,14,15)"}
{"metaboliteNames":"iberin-cysteine-glycine","FOBI":"FOBI:030647","InChIKey":"DPNSNZWERSTHLI-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H19N3O4S3/c1-20(17)4-2-3-12-10(18)19-6-7(11)9(16)13-5-8(14)15/h7H,2-6,11H2,1H3,(H,12,18)(H,13,16)(H,14,15)"}
{"metaboliteNames":"iberin-glutathione","FOBI":"FOBI:030648","InChIKey":"VSDUBRGHFZYNJY-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H26N4O7S3/c1-29(26)6-2-5-17-15(27)28-8-10(13(23)18-7-12(21)22)19-11(20)4-3-9(16)14(24)25/h9-10H,2-8,16H2,1H3,(H,17,27)(H,18,23)(H,19,20)(H,21,22)(H,24,25)"}
{"metaboliteNames":"5-(hydroxymethyl-2-furoyl)glycine","FOBI":"FOBI:030650","PubChemCID":"6537488","InChIKey":"HBULKUDERNWOBN-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H9NO5/c10-4-5-1-2-6(14-5)8(13)9-3-7(11)12/h1-2,10H,3-4H2,(H,9,13)(H,11,12)","ChemSpider":"5020627"}
{"metaboliteNames":"3-methyluric acid","FOBI":"FOBI:030660","HMDB":"HMDB01970","PubChemCID":"11804","InChIKey":"ODCYDGXXCHTFIR-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H6N4O3/c1-10-3-2(7-5(12)8-3)4(11)9-6(10)13/h1H3,(H2,7,8,12)(H,9,11,13)"}
{"metaboliteNames":"7-methyluric acid","FOBI":"FOBI:030661","HMDB":"HMDB11107","KEGG":"C16355","PubChemCID":"69160","InChIKey":"YHNNPKUFPWLTOP-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)","ChemSpider":"62375"}
{"metaboliteNames":"6-amino-5-(n-methylformylamino)-1-methyluracil","FOBI":"FOBI:030666","PubChemCID":"9920643","InChIKey":"XWCBQDPCEYHYRB-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)11(2)7(14)10-6(4)13/h8H2,1-2H3,(H,9,12)(H,10,13,14)","ChemSpider":"8096278"}
{"metaboliteNames":"cyclo(l-leucyl-l-prolyl)","FOBI":"FOBI:030668","PubChemCID":"7074739","InChIKey":"SZJNCZMRZAUNQT-IUCAKERBSA-N","InChICode":"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9-/m0/s1","ChemSpider":"5428292"}
{"metaboliteNames":"2-amino-1,6-dimethylimidazo[4,5-b]pyridine glucuronide","FOBI":"FOBI:030670","InChIKey":"SQVPGYDPSLNFET-KSXIZUIISA-N","InChICode":"InChI=1S/C19H20N4O6/c1-23-11-7-10(9-5-3-2-4-6-9)8-20-16(11)21-19(23)22-17-14(26)12(24)13(25)15(29-17)18(27)28/h2-8,12-15,17,24-26H,1H3,(H,27,28)(H,20,21,22)/t12-,13-,14+,15-,17+/m0/s1"}
{"metaboliteNames":"2-aminophenol glucuronide","FOBI":"FOBI:030672","PubChemCID":"85208","InChIKey":"ZVFVTBSWJWONEI-GOVZDWNOSA-N","InChICode":"InChI=1S/C12H15NO7/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12,14-16H,13H2,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1","ChemSpider":"76843"}
{"metaboliteNames":"2-aminophenol sulfate","FOBI":"FOBI:030673","PubChemCID":"181670","InChIKey":"VSTZVCJQGSLNLL-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H7NO4S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4H,7H2,(H,8,9,10)"}
{"metaboliteNames":"vanilloylglycine","FOBI":"FOBI:030675","PubChemCID":"3083688","InChIKey":"LOODYTDRRBLQNH-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H11NO5/c1-16-8-4-6(2-3-7(8)12)10(15)11-5-9(13)14/h2-4,12H,5H2,1H3,(H,11,15)(H,13,14)","ChemSpider":"2340857"}
{"metaboliteNames":"n-acetyl-s-allylcysteine","FOBI":"FOBI:030677","PubChemCID":"152467","InChIKey":"LKRAEHUDIUJBSF-ZETCQYMHSA-N","InChICode":"InChI=1S/C8H13NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-/m0/s1","ChemSpider":"134378"}
{"metaboliteNames":"n-acetyl-s-methylcysteine","FOBI":"FOBI:030679","PubChemCID":"13893975","InChIKey":"RYGLCORNOFFGTB-YFKPBYRVSA-N","InChICode":"InChI=1S/C6H11NO3S/c1-4(8)7-5(3-11-2)6(9)10/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1"}
{"metaboliteNames":"s-allylmercapturic acid","FOBI":"FOBI:030680","PubChemCID":"10465488","InChIKey":"LKRAEHUDIUJBSF-SSDOTTSWSA-N","InChICode":"InChI=1S/C8H13NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-/m1/s1","ChemSpider":"8640899"}
{"metaboliteNames":"allyl methyl sulfide","FOBI":"FOBI:030681","PubChemCID":"66282","InChIKey":"NVLPQIPTCCLBEU-UHFFFAOYSA-N","InChICode":"InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3"}
{"metaboliteNames":"allyl methyl sulfoxide","FOBI":"FOBI:030682","PubChemCID":"10887844","InChIKey":"JWWFEYMQBBFIRT-UHFFFAOYSA-N","InChICode":"InChI=1S/C4H8OS/c1-3-4-6(2)5/h3H,1,4H2,2H3","ChemSpider":"9063108"}
{"metaboliteNames":"allyl methyl sulfone","FOBI":"FOBI:030683","InChIKey":"WOPDMJYIAAXDMN-UHFFFAOYSA-N","InChICode":"InChI=1S/C4H8O2S/c1-3-4-7(2,5)6/h3H,1,4H2,2H3"}
{"metaboliteNames":"p-cresol glucuronide","FOBI":"FOBI:030700","HMDB":"HMDB11686","PubChemCID":"154035","InChIKey":"JPAUCQAJHLSMQW-XPORZQOISA-N","InChICode":"InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1","ChemSpider":"135751"}
{"metaboliteNames":"indoxyl glucuronide","FOBI":"FOBI:030703","HMDB":"HMDB10319","PubChemCID":"2733785","InChIKey":"KUYNOZVWCFXSNE-BYNIDDHOSA-N","InChICode":"InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1","ChemSpider":"2015556"}
{"metaboliteNames":"α-solanine","FOBI":"FOBI:030715","PubChemCID":"262500","InChIKey":"ZGVSETXHNHBTRK-UHFFFAOYSA-N","InChICode":"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3","ChemSpider":"230519"}
{"metaboliteNames":"5-n-heptadecylresorcinol","FOBI":"FOBI:030719","PubChemCID":"181700","InChIKey":"BBGNINPPDHJETF-UHFFFAOYSA-N","InChICode":"InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3"}
{"metaboliteNames":"5-n-nonadecylresorcinol","FOBI":"FOBI:030720","PubChemCID":"161858","InChIKey":"PUNOCEUUYUXUGR-UHFFFAOYSA-N","InChICode":"InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3"}
{"metaboliteNames":"5-n-heneicosylresorcinol","FOBI":"FOBI:030721","PubChemCID":"155461","InChIKey":"BLHLKJLSYHEOGY-UHFFFAOYSA-N","InChICode":"InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h22-24,28-29H,2-21H2,1H3","ChemSpider":"136952"}
{"metaboliteNames":"5-n-tricosylresorcinol","FOBI":"FOBI:030722","PubChemCID":"155462","InChIKey":"OHTBGMREZYLZQD-UHFFFAOYSA-N","InChICode":"InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3","ChemSpider":"136953"}
{"metaboliteNames":"5-n-pentacosylresorcinol","FOBI":"FOBI:030723","PubChemCID":"155463","InChIKey":"GDJMJAKVVSGNLA-UHFFFAOYSA-N","InChICode":"InChI=1S/C31H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h26-28,32-33H,2-25H2,1H3","ChemSpider":"136954"}
{"metaboliteNames":"2-benzoxazolinone","FOBI":"FOBI:030724","PubChemCID":"6043","InChIKey":"ASSKVPFEZFQQNQ-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)","ChemSpider":"10610280"}
{"metaboliteNames":"6-methoxy-benzoxazolin-2-one","FOBI":"FOBI:030725","PubChemCID":"10772","InChIKey":"MKMCJLMBVKHUMS-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)"}
{"metaboliteNames":"2-β-d-glucopyranosyloxy-1,4-benzoxazin-3-one","FOBI":"FOBI:030727","PubChemCID":"14605137","InChIKey":"PYQSUTLVBSTCSK-BJPDSMLBSA-N","InChICode":"InChI=1S/C14H17NO8/c16-5-8-9(17)10(18)11(19)13(22-8)23-14-12(20)15-6-3-1-2-4-7(6)21-14/h1-4,8-11,13-14,16-19H,5H2,(H,15,20)/t8-,9-,10+,11-,13+,14?/m1/s1"}
{"metaboliteNames":"2-hydroxy-1,4-benzoxazin-3-one glucuronide","FOBI":"FOBI:030728","InChIKey":"PXAGSWBDUVOULJ-CPFHXUIISA-N","InChICode":"InChI=1S/C14H15NO9/c16-7-8(17)10(12(20)21)23-13(9(7)18)24-14-11(19)15-5-3-1-2-4-6(5)22-14/h1-4,7-10,13-14,16-18H,(H,15,19)(H,20,21)/t7-,8?,9?,10-,13-,14?/m1/s1"}
{"metaboliteNames":"2-hydroxy-1,4-benzoxazin-3-one sulfate","FOBI":"FOBI:030729","InChIKey":"XQOGGBJDHDDLTI-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H7NO6S/c10-7-8(15-16(11,12)13)14-6-4-2-1-3-5(6)9-7/h1-4,8H,(H,9,10)(H,11,12,13)"}
{"metaboliteNames":"2-hydroxy-7-methoxy-1,4-benzoxazin-3-one","FOBI":"FOBI:030730","PubChemCID":"152213","InChIKey":"NDEPTLCFICMYLH-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H9NO4/c1-13-5-2-3-6-7(4-5)14-9(12)8(11)10-6/h2-4,9,12H,1H3,(H,10,11)","ChemSpider":"134162"}
{"metaboliteNames":"2-β-d-glucopyranosyloxy-7-methoxy-1,4-benzoxazin-3-one","FOBI":"FOBI:030731","PubChemCID":"161229","InChIKey":"PMBZSEOAOIYRMW-XGHDNVSXSA-N","InChICode":"InChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)/t9-,10-,11+,12-,14+,15?/m1/s1"}
{"metaboliteNames":"2,4-dihydroxy-1,4-benzoxazin-3-one glucuronide","FOBI":"FOBI:030734","InChIKey":"CKVNYXWAZIGXDC-CPFHXUIISA-N","InChICode":"InChI=1S/C14H15NO10/c16-7-8(17)10(12(20)21)24-13(9(7)18)25-14-11(19)15(22)5-3-1-2-4-6(5)23-14/h1-4,7-10,13-14,16-18,22H,(H,20,21)/t7-,8?,9?,10-,13-,14?/m1/s1"}
{"metaboliteNames":"2,4-dihydroxy-1,4-benzoxazin-3-one sulfate","FOBI":"FOBI:030735","InChIKey":"GNPNIYVSUDXFAF-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H7NO7S/c10-7-8(16-17(12,13)14)15-6-4-2-1-3-5(6)9(7)11/h1-4,8,11H,(H,12,13,14)"}
{"metaboliteNames":"pentadecanoic acid","FOBI":"FOBI:030738","HMDB":"HMDB00826","KEGG":"C16537","PubChemCID":"13849","InChIKey":"WQEPLUUGTLDZJY-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)"}
{"metaboliteNames":"ascorbic acid","FOBI":"FOBI:030745","HMDB":"HMDB00044","InChIKey":"TYQCGQRIZGCHNB-MVHIGOERSA-N","InChICode":"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10-11H,1H2/t2-,5+/m1/s1","ChemSpider":"559144"}
{"metaboliteNames":"lutein","FOBI":"FOBI:030749","HMDB":"HMDB03233","PubChemCID":"6433159","InChIKey":"KBPHJBAIARWVSC-RTIVXWJOSA-N","InChICode":"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35?,36-,37+/m1/s1","ChemSpider":"4938343"}
{"metaboliteNames":"oleuropein","FOBI":"FOBI:030751","PubChemCID":"5281544","InChIKey":"RFWGABANNQMHMZ-ZCHJGGQASA-N","InChICode":"InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3+/t14-,18+,20+,21-,22+,24-,25-/m0/s1","ChemSpider":"4444876"}
{"metaboliteNames":"oleanolic acid","FOBI":"FOBI:030752","HMDB":"HMDB02364","KEGG":"C17148","PubChemCID":"10494","InChIKey":"MIJYXULNPSFWEK-GTOFXWBISA-N","InChICode":"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1"}
{"metaboliteNames":"d-pinitol","FOBI":"FOBI:030755","PubChemCID":"164619","InChIKey":"DSCFFEYYQKSRSV-FEPQRWDDSA-N","InChICode":"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,5-,6+,7?/m0/s1","ChemSpider":"144315"}
{"metaboliteNames":"glucose","FOBI":"FOBI:030758","HMDB":"HMDB00122","KEGG":"C00031","PubChemCID":"5793","InChIKey":"WQZGKKKJIJFFOK-GASJEMHNSA-N","InChICode":"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1","ChemSpider":"17341254"}
{"metaboliteNames":"enterolactone 3''-glucuronide","FOBI":"FOBI:040239","InChIKey":"YPASCVZALRQWQG-YROROSIDSA-N","InChICode":"InChI=1S/C24H26O10/c25-15-5-1-3-13(8-15)10-17-14(11-32-23(17)31)7-12-4-2-6-16(9-12)33-24-20(28)18(26)19(27)21(34-24)22(29)30/h1-6,8-9,14,17-21,24-28H,7,10-11H2,(H,29,30)/t14-,17?,18+,19?,20?,21+,24?/m1/s1"}
{"metaboliteNames":"enterolactone 3''-sulfate","FOBI":"FOBI:040240","InChIKey":"SPRPHXPXKOEYDB-XPCCGILXSA-N","InChICode":"InChI=1S/C18H18O7S/c19-15-5-1-3-13(8-15)10-17-14(11-24-18(17)20)7-12-4-2-6-16(9-12)25-26(21,22)23/h1-6,8-9,14,17,19H,7,10-11H2,(H,21,22,23)/t14-,17?/m1/s1"}
{"metaboliteNames":"ethylgallate 4-sulfate","FOBI":"FOBI:040241","InChIKey":"MCMHLNUFWOHPQE-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O8S/c1-2-16-9(12)5-3-6(10)8(7(11)4-5)17-18(13,14)15/h3-4,10-11H,2H2,1H3,(H,13,14,15)"}
{"metaboliteNames":"ethylgallate 4-glucuronide","FOBI":"FOBI:040242","InChIKey":"ZHTVVEZJLVVZOT-YGMDGNCASA-N","InChICode":"InChI=1S/C15H18O11/c1-2-24-14(23)5-3-6(16)11(7(17)4-5)25-15-10(20)8(18)9(19)12(26-15)13(21)22/h3-4,8-10,12,15-20H,2H2,1H3,(H,21,22)/t8-,9-,10+,12-,15+/m0/s1"}
{"metaboliteNames":"xanthohumol","FOBI":"FOBI:050232","HMDB":"HMDB0037479","PubChemCID":"639665","InChIKey":"ORXQGKIUCDPEAJ-YRNVUSSQSA-N","InChICode":"InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+","ChemSpider":"555077"}
{"metaboliteNames":"6-prenylnaringenin","FOBI":"FOBI:050233","HMDB":"HMDB0037247","KEGG":"C09832","PubChemCID":"155094","InChIKey":"YHWNASRGLKJRJJ-KRWDZBQOSA-N","InChICode":"InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3","ChemSpider":"2759246"}
{"metaboliteNames":"8-prenylnaringenin","FOBI":"FOBI:050234","KEGG":"C18023","PubChemCID":"509245","InChIKey":"LPEPZZAVFJPLNZ-SFHVURJKSA-N","InChICode":"InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1","ChemSpider":"421848"}
{"metaboliteNames":"4-vinylguaiacol","FOBI":"FOBI:050235","HMDB":"HMDB0013744","KEGG":"C17883","PubChemCID":"332","InChIKey":"YOMSJEATGXXYPX-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3","ChemSpider":"14112879"}
{"metaboliteNames":"4-ethylguaiacol","FOBI":"FOBI:050236","HMDB":"HMDB0040175","PubChemCID":"62465","InChIKey":"CHWNEIVBYREQRF-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3","ChemSpider":"16200549"}
{"metaboliteNames":"3-methylcatechol","FOBI":"FOBI:050237","KEGG":"C02923","PubChemCID":"340","InChIKey":"PGSWEKYNAOWQDF-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3","ChemSpider":"15287379"}
{"metaboliteNames":"4-ethylcatechol","FOBI":"FOBI:050238","HMDB":"HMDB0040174","PubChemCID":"70761","InChIKey":"HFLGBNBLMBSXEM-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3","ChemSpider":"15578444"}
{"metaboliteNames":"4-vinylphenol","FOBI":"FOBI:050239","HMDB":"HMDB0004072","KEGG":"C05627","PubChemCID":"62453","InChIKey":"FUGYGGDSWSUORM-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2","ChemSpider":"10752392"}
{"metaboliteNames":"(-)-epigallocatechin","FOBI":"FOBI:050240","HMDB":"HMDB0038361","KEGG":"C12136","PubChemCID":"72277","InChIKey":"XMOCLSLCDHWDHP-IUODEOHRSA-N","InChICode":"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1","ChemSpider":"65231"}
{"metaboliteNames":"naringenin","FOBI":"FOBI:050241","HMDB":"HMDB0002670","KEGG":"C00509","PubChemCID":"439246","InChIKey":"FTVWIRXFELQLPI-ZDUSSCGKSA-N","InChICode":"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1","ChemSpider":"388383"}
{"metaboliteNames":"naringin","FOBI":"FOBI:050242","HMDB":"HMDB0002927","KEGG":"C09789","PubChemCID":"442428","InChIKey":"DFPMSGMNTNDNHN-ZPHOTFPESA-N","InChICode":"InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1","ChemSpider":"390868"}
{"metaboliteNames":"myricetin","FOBI":"FOBI:050243","HMDB":"HMDB0002755","KEGG":"C10107","PubChemCID":"5281672","InChIKey":"IKMDFBPHZNJCSN-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H","ChemSpider":"4444991"}
{"metaboliteNames":"4-hydroxycoumarin","FOBI":"FOBI:050244","HMDB":"HMDB0137904","KEGG":"C20414","PubChemCID":"54682930","InChIKey":"PTNLHDGQWUGONS-OWOJBTEDSA-N","InChICode":"InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H","ChemSpider":"10254753"}
{"metaboliteNames":"esculetin","FOBI":"FOBI:050245","HMDB":"HMDB0030819","KEGG":"C09263","PubChemCID":"5281416","InChIKey":"ILEDWLMCKZNDJK-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H","ChemSpider":"4444764"}
{"metaboliteNames":"esculin","FOBI":"FOBI:050246","HMDB":"HMDB0030820","KEGG":"C09264","PubChemCID":"5281417","InChIKey":"XHCADAYNFIFUHF-TVKJYDDYSA-N","InChICode":"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1","ChemSpider":"4444765"}
{"metaboliteNames":"scopoletin","FOBI":"FOBI:050247","HMDB":"HMDB0034344","KEGG":"C01752","PubChemCID":"5280460","InChIKey":"RODXRVNMMDRFIK-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3","ChemSpider":"4444113"}
{"metaboliteNames":"umbelliferone","FOBI":"FOBI:050248","HMDB":"HMDB0029865","KEGG":"C09315","PubChemCID":"5281426","InChIKey":"ORHBXUUXSCNDEV-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H","ChemSpider":"13586477"}
{"metaboliteNames":"tyrosol","FOBI":"FOBI:050249","HMDB":"HMDB0004284","KEGG":"C06044","PubChemCID":"10393","InChIKey":"YCCILVSKPBXVIP-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2"}
{"metaboliteNames":"pinosylvin","FOBI":"FOBI:050250","KEGG":"C01745","PubChemCID":"100754","InChIKey":"YCVPRTHEGLPYPB-VOTSOKGWSA-N","InChICode":"InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+","ChemSpider":"4444110"}
{"metaboliteNames":"ferulaldehyde","FOBI":"FOBI:050251","HMDB":"HMDB0141782","KEGG":"C02666","PubChemCID":"9984","InChIKey":"DKZBBWMURDFHNE-NSCUHMNNSA-N","InChICode":"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+","ChemSpider":"4444167"}
{"metaboliteNames":"sinapaldehyde","FOBI":"FOBI:050252","KEGG":"C05610","PubChemCID":"5280802","InChIKey":"CDICDSOGTRCHMG-ONEGZZNKSA-N","InChICode":"InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3","ChemSpider":"4444359"}
{"metaboliteNames":"rhamnetin","FOBI":"FOBI:050253","HMDB":"HMDB0133823","KEGG":"C10176","PubChemCID":"5281691","InChIKey":"JGUZGNYPMHHYRK-UHFFFAOYSA-N","InChICode":"InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3","ChemSpider":"4445008"}
{"metaboliteNames":"pallidol","FOBI":"FOBI:050254","PubChemCID":"484757","InChIKey":"YNVJOQCPHWKWSO-ZBVBGGFBSA-N","InChICode":"InChI=1S/C28H22O6/c29-15-5-1-13(2-6-15)23-25-19(9-17(31)11-21(25)33)28-24(14-3-7-16(30)8-4-14)26-20(27(23)28)10-18(32)12-22(26)34/h1-12,23-24,27-34H/t23-,24-,27+,28+/m1/s1","ChemSpider":"425065"}
{"metaboliteNames":"piceatannol","FOBI":"FOBI:050255","HMDB":"HMDB0004215","KEGG":"C05901","PubChemCID":"4813","InChIKey":"CDRPUGZCRXZLFL-OWOJBTEDSA-N","InChICode":"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+","ChemSpider":"134356"}
{"metaboliteNames":"pterostilbene","FOBI":"FOBI:050256","HMDB":"HMDB0130987","KEGG":"C10287","PubChemCID":"5281727","InChIKey":"VLEUZFDZJKSGMX-ONEGZZNKSA-N","InChICode":"InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+","ChemSpider":"4445042"}
{"metaboliteNames":"eriodictyol","FOBI":"FOBI:050257","HMDB":"HMDB0005810","KEGG":"C05631","PubChemCID":"440735","InChIKey":"SBHXYTNGIZCORC-ZDUSSCGKSA-N","InChICode":"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1","ChemSpider":"389606"}
{"metaboliteNames":"tangeretin","FOBI":"FOBI:050258","HMDB":"HMDB0030539","KEGG":"C10190","PubChemCID":"68077","InChIKey":"ULSUXBXHSYSGDT-UHFFFAOYSA-N","InChICode":"InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3","ChemSpider":"61389"}
{"metaboliteNames":"galangin","FOBI":"FOBI:050259","HMDB":"HMDB0029521","KEGG":"C10044","PubChemCID":"5281616","InChIKey":"VCCRNZQBSJXYJD-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H","ChemSpider":"4444935"}
{"metaboliteNames":"arctigenin","FOBI":"FOBI:050260","HMDB":"HMDB0030087","KEGG":"C10545","PubChemCID":"64981","InChIKey":"NQWVSMVXKMHKTF-JKSUJKDBSA-N","InChICode":"InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1","ChemSpider":"58506"}
{"metaboliteNames":"isolariciresinol","FOBI":"FOBI:050261","PubChemCID":"160521","InChIKey":"OGFXBIXJCWAUCH-KPHUOKFYSA-N","InChICode":"InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15-,20-/m0/s1","ChemSpider":"141054"}
{"metaboliteNames":"lariciresinol","FOBI":"FOBI:050262","KEGG":"C10646","PubChemCID":"332427","InChIKey":"MHXCIKYXNYCMHY-AUSJPIAWSA-N","InChICode":"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1","ChemSpider":"294521"}
{"metaboliteNames":"trachelogenin","FOBI":"FOBI:050263","KEGG":"C10891","PubChemCID":"452855","InChIKey":"YFVZKLQNMNKWSB-BTYIYWSLSA-N","InChICode":"InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1"}
{"metaboliteNames":"5-heneicosylresorcinol","FOBI":"FOBI:050264","HMDB":"HMDB0031035","InChIKey":"BLHLKJLSYHEOGY-UHFFFAOYSA-N","InChICode":"InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h22-24,28-29H,2-21H2,1H3","ChemSpider":"136952"}
{"metaboliteNames":"5-heptadecylresorcinol","FOBI":"FOBI:050265","HMDB":"HMDB0038530","InChIKey":"BBGNINPPDHJETF-UHFFFAOYSA-N","InChICode":"InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3"}
{"metaboliteNames":"5-nonadecylresorcinol","FOBI":"FOBI:050266","HMDB":"HMDB0030956","InChIKey":"PUNOCEUUYUXUGR-UHFFFAOYSA-N","InChICode":"InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3"}
{"metaboliteNames":"5-pentacosylresorcinol","FOBI":"FOBI:050267","HMDB":"HMDB0038485","InChIKey":"GDJMJAKVVSGNLA-UHFFFAOYSA-N","InChICode":"InChI=1S/C31H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h26-28,32-33H,2-25H2,1H3","ChemSpider":"136954"}
{"metaboliteNames":"5-tricosylresorcinol","FOBI":"FOBI:050268","HMDB":"HMDB0038524","InChIKey":"OHTBGMREZYLZQD-UHFFFAOYSA-N","InChICode":"InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3","ChemSpider":"136953"}
{"metaboliteNames":"5-pentadecylresorcinol","FOBI":"FOBI:050269","HMDB":"HMDB0031009","KEGG":"C10809","PubChemCID":"76617","InChIKey":"KVVSCMOUFCNCGX-UHFFFAOYSA-N","InChICode":"InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3","ChemSpider":"69081"}
{"metaboliteNames":"medioresinol","FOBI":"FOBI:050270","PubChemCID":"332425","InChIKey":"VJOBNGRIBLNUKN-ITZZLVQVSA-N","InChICode":"InChI=1S/C21H24O7/c1-24-16-6-11(4-5-15(16)22)20-13-9-28-21(14(13)10-27-20)12-7-17(25-2)19(23)18(8-12)26-3/h4-8,13-14,20-23H,9-10H2,1-3H3/t13-,14-,20+,21?/m0/s1","ChemSpider":"294519"}
{"metaboliteNames":"mellein","FOBI":"FOBI:050271","PubChemCID":"28516","InChIKey":"KWILGNNWGSNMPA-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3","ChemSpider":"26529"}
{"metaboliteNames":"phenol","FOBI":"FOBI:050272","HMDB":"HMDB0000228","KEGG":"C00146","PubChemCID":"996","InChIKey":"ISWSIDIOOBJBQZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H","ChemSpider":"10612971"}
{"metaboliteNames":"morin","FOBI":"FOBI:050273","HMDB":"HMDB0030796","KEGG":"C10105","PubChemCID":"5281670","InChIKey":"YXOLAZRVSSWPPT-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H","ChemSpider":"4444989"}
{"metaboliteNames":"sesamin","FOBI":"FOBI:050274","KEGG":"C10882","PubChemCID":"72307","InChIKey":"PEYUIKBAABKQKQ-AFHBHXEDSA-N","InChICode":"InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1","ChemSpider":"65258"}
{"metaboliteNames":"cyanidin","FOBI":"FOBI:050275","HMDB":"HMDB0002708","KEGG":"C05905","PubChemCID":"128861","InChIKey":"VEVZSMAEJFVWIL-UHFFFAOYSA-O","InChICode":"InChI=1S/C15H10O6.ClH/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-6H,(H4-,16,17,18,19,20);1H","ChemSpider":"61546"}
{"metaboliteNames":"pelargonidin","FOBI":"FOBI:050276","HMDB":"HMDB0003263","KEGG":"C05904","PubChemCID":"67249","InChIKey":"XVFMGWDSJLBXDZ-UHFFFAOYSA-O","InChICode":"InChI=1S/C15H10O5.ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;/h1-7H,(H3-,16,17,18,19);1H","ChemSpider":"60584"}
{"metaboliteNames":"peonidin","FOBI":"FOBI:050277","HMDB":"HMDB0005797","KEGG":"C08726","PubChemCID":"441773","InChIKey":"OGBSHLKSHNAPEW-UHFFFAOYSA-N","InChICode":"InChI=1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H","ChemSpider":"144246"}
{"metaboliteNames":"phloridzin","FOBI":"FOBI:050278","HMDB":"HMDB0036634","KEGG":"C01604","PubChemCID":"4789","InChIKey":"IOUVKUPGCMBWBT-QNDFHXLGSA-N","InChICode":"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1","ChemSpider":"16498836"}
{"metaboliteNames":"arbutin","FOBI":"FOBI:050279","HMDB":"HMDB0029943","KEGG":"C06186","PubChemCID":"346","InChIKey":"BJRNKVDFDLYUGJ-RMPHRYRLSA-N","InChICode":"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1","ChemSpider":"389765"}
{"metaboliteNames":"didymin","FOBI":"FOBI:050280","HMDB":"HMDB0029482","PubChemCID":"16760075","InChIKey":"RMCRQBAILCLJGU-UHFFFAOYSA-N","InChICode":"InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3","ChemSpider":"77297"}
{"metaboliteNames":"hesperidin","FOBI":"FOBI:050281","HMDB":"HMDB0003265","KEGG":"C09755","PubChemCID":"10621","InChIKey":"QUQPHWDTPGMPEX-QJBIFVCTSA-N","InChICode":"InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1"}
{"metaboliteNames":"narirutin","FOBI":"FOBI:050282","HMDB":"HMDB0033740","KEGG":"C09793","PubChemCID":"442431","InChIKey":"HXTFHSYLYXVTHC-AJHDJQPGSA-N","InChICode":"InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3","ChemSpider":"77296"}
{"metaboliteNames":"nobiletin","FOBI":"FOBI:050283","HMDB":"HMDB0029540","KEGG":"C10112","PubChemCID":"72344","InChIKey":"DFPMSGMNTNDNHN-ZPHOTFPESA-N","InChICode":"InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3","ChemSpider":"65283"}
{"metaboliteNames":"sinensetin","FOBI":"FOBI:050284","HMDB":"HMDB0036633","KEGG":"C10186","PubChemCID":"145659","InChIKey":"LKMNXYDUQXAUCZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3","ChemSpider":"128491"}
{"metaboliteNames":"kaempferide","FOBI":"FOBI:050285","HMDB":"HMDB0037441","KEGG":"C10098","PubChemCID":"25201489","InChIKey":"SQFSKOYWJBQGKQ-UHFFFAOYSA-N","InChICode":"InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3","ChemSpider":"4444985"}
{"metaboliteNames":"eriocitrin","FOBI":"FOBI:050286","HMDB":"HMDB0005811","KEGG":"C09732","PubChemCID":"83489","InChIKey":"OMQADRGFMLGFJF-MNPJBKLOSA-N","InChICode":"InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16+,18+,20-,21+,22+,23+,24+,25-,26-,27+/m0/s1","ChemSpider":"75327"}
{"metaboliteNames":"neoeriocitrin","FOBI":"FOBI:050287","KEGG":"C09805","PubChemCID":"114627","InChIKey":"OBKKEZLIABHSGY-DOYQYKRZSA-N","InChICode":"InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1"}
{"metaboliteNames":"bergapten","FOBI":"FOBI:050288","HMDB":"HMDB0030637","KEGG":"C01557","PubChemCID":"2355","InChIKey":"BGEBZHIAGXMEMV-UHFFFAOYSA-N","InChICode":"InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3"}
{"metaboliteNames":"phlorin","FOBI":"FOBI:050289","HMDB":"HMDB0035589","PubChemCID":"476785","InChIKey":"WXTPOHDTGNYFSB-UHFFFAOYSA-N","InChICode":"InChI=1S/C12H16O8/c13-4-8-9(16)10(17)11(18)12(20-8)19-7-2-5(14)1-6(15)3-7/h1-3,8-18H,4H2"}
{"metaboliteNames":"rhoifolin","FOBI":"FOBI:050290","HMDB":"HMDB0038848","KEGG":"C12627","PubChemCID":"5282150","InChIKey":"RPMNUQRUHXIGHK-PYXJVEIZSA-N","InChICode":"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1","ChemSpider":"4445347"}
{"metaboliteNames":"diosmin","FOBI":"FOBI:050291","HMDB":"HMDB0029548","KEGG":"C10039","PubChemCID":"5281613","InChIKey":"GZSOSUNBTXMUFQ-YFAPSIMESA-N","InChICode":"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1","ChemSpider":"4444932"}
{"metaboliteNames":"tetramethylscutellarein","FOBI":"FOBI:050292","HMDB":"HMDB0030575","KEGG":"C14472","PubChemCID":"96118","InChIKey":"URSUMOWUGDXZHU-UHFFFAOYSA-N","InChICode":"InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3","ChemSpider":"86762"}
{"metaboliteNames":"3-methoxynobiletin","FOBI":"FOBI:050293","HMDB":"HMDB0037689","InChIKey":"SSXJHQZOHUYEGD-UHFFFAOYSA-N","InChICode":"InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3","ChemSpider":"132996"}
{"metaboliteNames":"chrysin","FOBI":"FOBI:050294","HMDB":"HMDB0036619","KEGG":"C10028","PubChemCID":"5281607","InChIKey":"RTIXKCRFFJGDFG-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","ChemSpider":"4444926"}
{"metaboliteNames":"punicalagin","FOBI":"FOBI:050295","HMDB":"HMDB0005795","PubChemCID":"16129869","InChIKey":"BFMMRDUWGRKGNX-UHFFFAOYSA-N","InChICode":"InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48-/m1/s1","ChemSpider":"17304875"}
{"metaboliteNames":"anethole","FOBI":"FOBI:050296","HMDB":"HMDB0030837","KEGG":"C10428","PubChemCID":"637563","InChIKey":"RUVINXPYWBROJD-ONEGZZNKSA-N","InChICode":"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+","ChemSpider":"553166"}
{"metaboliteNames":"verbascoside","FOBI":"FOBI:050297","HMDB":"HMDB0034843","KEGG":"C10501","PubChemCID":"5281800","InChIKey":"FBSKJMQYURKNSU-ZLSOWSIRSA-N","InChICode":"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+","ChemSpider":"4572852"}
{"metaboliteNames":"daidzin","FOBI":"FOBI:050298","HMDB":"HMDB0033991","KEGG":"C10216","PubChemCID":"107971","InChIKey":"KYQZWONCHDNPDP-QNDFHXLGSA-N","InChICode":"InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1"}
{"metaboliteNames":"genistin","FOBI":"FOBI:050299","HMDB":"HMDB0029909","PubChemCID":"5281377","InChIKey":"FSCNUJMKSQHQSY-UHFFFAOYSA-N","InChICode":"InChI=1S/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3"}
{"metaboliteNames":"glycitein","FOBI":"FOBI:050300","HMDB":"HMDB0005781","KEGG":"C14536","PubChemCID":"5317750","InChIKey":"DXYUAIFZCFRPTH-UHFFFAOYSA-N","InChICode":"InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3","ChemSpider":"4476508"}
{"metaboliteNames":"glycitin","FOBI":"FOBI:050301","HMDB":"HMDB0002219","KEGG":"C16195","PubChemCID":"187808","InChIKey":"OZBAVEKZGSOMOJ-MIUGBVLSSA-N","InChICode":"InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1","ChemSpider":"10176999"}
{"metaboliteNames":"coumestrol","FOBI":"FOBI:050302","HMDB":"HMDB0002326","KEGG":"C10205","PubChemCID":"5281707","InChIKey":"ZZIALNLLNHEQPJ-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H","ChemSpider":"4445024"}
{"metaboliteNames":"1-acetoxypinoresinol","FOBI":"FOBI:050303","HMDB":"HMDB0033280","KEGG":"C10544","PubChemCID":"442831","InChIKey":"NATDFORNCKZPCI-FPHUIIFBSA-N","InChICode":"InChI=1S/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3","ChemSpider":"3682955"}
{"metaboliteNames":"ligstroside","FOBI":"FOBI:050304","HMDB":"HMDB0034751","InChIKey":"GMQXOLRKJQWPNB-FAWHCFPASA-N","InChICode":"InChI=1S/C25H32O12/c1-3-15-16(10-19(28)34-9-8-13-4-6-14(27)7-5-13)17(23(32)33-2)12-35-24(15)37-25-22(31)21(30)20(29)18(11-26)36-25/h3-7,12,16,18,20-22,24-27,29-31H,8-11H2,1-2H3/b15-3+/t16-,18+,20+,21-,22+,24-,25-/m0/s1","ChemSpider":"8567505"}
{"metaboliteNames":"demethyloleuropein","FOBI":"FOBI:050305","HMDB":"HMDB0036121","InChIKey":"HKVGJQVJNQRJPO-OIXVIMQBSA-N","InChICode":"InChI=1S/C24H30O13/c1-2-12-13(8-18(28)34-6-5-11-3-4-15(26)16(27)7-11)14(22(32)33)10-35-23(12)37-24-21(31)20(30)19(29)17(9-25)36-24/h2-4,7,10,13,17,19-21,23-27,29-31H,5-6,8-9H2,1H3,(H,32,33)/b12-2-"}
{"metaboliteNames":"sinapine","FOBI":"FOBI:050306","HMDB":"HMDB0029379","KEGG":"C00933","PubChemCID":"89287","InChIKey":"HUJXHFRXWWGYQH-UHFFFAOYSA-O","InChICode":"InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1","ChemSpider":"80576"}
{"metaboliteNames":"sesaminol","FOBI":"FOBI:050307","HMDB":"HMDB0038932","PubChemCID":"94672","InChIKey":"KQRXQIPRDKVZPW-UHFFFAOYSA-N","InChICode":"InChI=1S/C20H18O7/c21-14-5-18-17(26-9-27-18)4-11(14)20-13-7-22-19(12(13)6-23-20)10-1-2-15-16(3-10)25-8-24-15/h1-5,12-13,19-21H,6-9H2","ChemSpider":"7975265"}
{"metaboliteNames":"sesamol","FOBI":"FOBI:050308","HMDB":"HMDB0033812","KEGG":"C10832","PubChemCID":"68289","InChIKey":"LUSZGTFNYDARNI-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2","ChemSpider":"10778676"}
{"metaboliteNames":"sesamolin","FOBI":"FOBI:050309","HMDB":"HMDB0034119","PubChemCID":"101746","InChIKey":"ZZMNWJVJUKMZJY-AFHBHXEDSA-N","InChICode":"InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1","ChemSpider":"91932"}
{"metaboliteNames":"sesamolinol","FOBI":"FOBI:050310","HMDB":"HMDB0034119","KEGG":"C10883","PubChemCID":"443019","InChIKey":"OJVGWDJIYBTWDS-AFHBHXEDSA-N","InChICode":"InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2","ChemSpider":"509377"}
{"metaboliteNames":"episesamin","FOBI":"FOBI:050311","PubChemCID":"72307","InChIKey":"PEYUIKBAABKQKQ-WZBLMQSHSA-N","InChICode":"InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20+/m0/s1","ChemSpider":"91811"}
{"metaboliteNames":"cirsimaritin","FOBI":"FOBI:050312","KEGG":"C17785","PubChemCID":"188323","InChIKey":"ZIIAJIWLQUVGHB-UHFFFAOYSA-N","InChICode":"InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3"}
{"metaboliteNames":"hispidulin","FOBI":"FOBI:050313","HMDB":"HMDB0128581","KEGG":"C10058","PubChemCID":"5281628","InChIKey":"IHFBPDAQLQOCBX-UHFFFAOYSA-N","InChICode":"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","ChemSpider":"4444947"}
{"metaboliteNames":"rosmanol","FOBI":"FOBI:050314","PubChemCID":"455261","InChIKey":"LCAZOMIGFDQMNC-FORWCCJISA-N","InChICode":"InChI=1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3/t14-,16+,17-,20-/m0/s1","ChemSpider":"10263992"}
{"metaboliteNames":"cirsilineol","FOBI":"FOBI:050315","KEGG":"C10032","PubChemCID":"162464","InChIKey":"VKOSQMWSWLZQPA-UHFFFAOYSA-N","InChICode":"InChI=1S/C18H16O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3"}
{"metaboliteNames":"eupatorin","FOBI":"FOBI:050316","PubChemCID":"97214","InChIKey":"KLAOKWJLUQKWIF-UHFFFAOYSA-N","InChICode":"InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3","ChemSpider":"87743"}
{"metaboliteNames":"jaceosidin","FOBI":"FOBI:050317","PubChemCID":"5379096","InChIKey":"GLAAQZFBFGEBPS-UHFFFAOYSA-N","InChICode":"InChI=1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3","ChemSpider":"4527765"}
{"metaboliteNames":"dihydroquercetin","FOBI":"FOBI:050318","KEGG":"C01617","PubChemCID":"10185","InChIKey":"CXQWRCVTCMQVQX-LSDHHAIUSA-N","InChICode":"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1","ChemSpider":"388626"}
{"metaboliteNames":"pinocembrin","FOBI":"FOBI:050319","HMDB":"HMDB0141337","KEGG":"C09827","PubChemCID":"68071","InChIKey":"URFCJEUYXNAHFI-ZDUSSCGKSA-N","InChICode":"InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1","ChemSpider":"61384"}
{"metaboliteNames":"sakuranetin","FOBI":"FOBI:050320","HMDB":"HMDB0030090","KEGG":"C09833","PubChemCID":"348130","InChIKey":"DJOJDHGQRNZXQQ-AWEZNQCLSA-N","InChICode":"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1","ChemSpider":"66249"}
{"metaboliteNames":"6-hydroxyluteolin","FOBI":"FOBI:050321","HMDB":"HMDB0036632","KEGG":"C10072","PubChemCID":"5281642","InChIKey":"VYAKIUWQLHRZGK-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H","ChemSpider":"4444961"}
{"metaboliteNames":"scutellarein","FOBI":"FOBI:050322","HMDB":"HMDB0128587","KEGG":"C10184","PubChemCID":"5281697","InChIKey":"JVXZRQGOGOXCEC-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","ChemSpider":"4445014"}
{"metaboliteNames":"estragole","FOBI":"FOBI:050323","HMDB":"HMDB0034121","KEGG":"C10452","PubChemCID":"8815","InChIKey":"ZFMSMUAANRJZFM-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3","ChemSpider":"13850247"}
{"metaboliteNames":"eugenol","FOBI":"FOBI:050324","HMDB":"HMDB0005809","KEGG":"C10453","PubChemCID":"3314","InChIKey":"RRAFCDWBNXTKKO-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3","ChemSpider":"13876103"}
{"metaboliteNames":"carnosol","FOBI":"FOBI:050325","HMDB":"HMDB0002121","KEGG":"C09069","PubChemCID":"2579","InChIKey":"XUSYGBPHQBWGAD-PJSUUKDQSA-N","InChICode":"InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1","ChemSpider":"390568"}
{"metaboliteNames":"carvacrol","FOBI":"FOBI:050326","HMDB":"HMDB0035770","KEGG":"C09840","PubChemCID":"10364","InChIKey":"RECUKUPTGUEGMW-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3"}
{"metaboliteNames":"epirosmanol","FOBI":"FOBI:050327","HMDB":"HMDB0035812","InChIKey":"LCAZOMIGFDQMNC-UHFFFAOYSA-N","InChICode":"InChI=1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3","ChemSpider":"8060286"}
{"metaboliteNames":"thymol","FOBI":"FOBI:050328","HMDB":"HMDB0001878","KEGG":"C09908","PubChemCID":"6989","InChIKey":"MGSRCZKZVOBKFT-UHFFFAOYSA-N","InChICode":"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3","ChemSpider":"13911371"}
{"metaboliteNames":"baicalein","FOBI":"FOBI:050329","HMDB":"HMDB0134890","KEGG":"C10023","PubChemCID":"5281605","InChIKey":"FXNFHKRTJBSTCS-UHFFFAOYSA-N","InChICode":"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","ChemSpider":"4444924"}
{"metaboliteNames":"coumarin","FOBI":"FOBI:050330","HMDB":"HMDB0001218","KEGG":"C05851","PubChemCID":"323","InChIKey":"ZYGHJZDHTFUPRJ-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H","ChemSpider":"11251075"}
{"metaboliteNames":"curcumin","FOBI":"FOBI:050331","HMDB":"HMDB0002269","KEGG":"C10443","PubChemCID":"969516","InChIKey":"ZIUSSTSXXLLKKK-KOBPDPAPSA-N","InChICode":"InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+","ChemSpider":"839564"}
{"metaboliteNames":"isohydroxymatairesinol","FOBI":"FOBI:050332","InChIKey":"BTXZSJTULWTSJG-BIENJYKASA-N","InChICode":"InChI=1S/C20H22O7/c1-25-17-8-11(3-5-15(17)22)7-13-14(10-21)19(27-20(13)24)12-4-6-16(23)18(9-12)26-2/h3-6,8-9,13-14,19,21-23H,7,10H2,1-2H3/t13-,14+,19-/m1/s1","ChemSpider":"9947895"}
{"metaboliteNames":"isorhoifolin","FOBI":"FOBI:050333","HMDB":"HMDB0037349","PubChemCID":"17751020","InChIKey":"FKIYLTVJPDLUDL-UHFFFAOYSA-N","InChICode":"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1","ChemSpider":"8026894"}
{"metaboliteNames":"butein","FOBI":"FOBI:050334","KEGG":"C08578","PubChemCID":"5281222","InChIKey":"AYMYWHCQALZEGT-ORCRQEGFSA-N","InChICode":"InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+","ChemSpider":"4444634"}
{"metaboliteNames":"geraldone","FOBI":"FOBI:050335","HMDB":"HMDB0133330","KEGG":"C10047","PubChemCID":"5281618","InChIKey":"OUMMPAFEQHTYIZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C16H12O5/c1-20-16-6-9(2-5-12(16)18)14-8-13(19)11-4-3-10(17)7-15(11)21-14/h2-8,17-18H,1H3","ChemSpider":"4444937"}
{"metaboliteNames":"isopimpinellin","FOBI":"FOBI:050336","HMDB":"HMDB0034312","KEGG":"C02162","PubChemCID":"68079","InChIKey":"DFMAXQKDIGCMTL-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3","ChemSpider":"61391"}
{"metaboliteNames":"psoralen","FOBI":"FOBI:050337","HMDB":"HMDB0034272","KEGG":"C09305","PubChemCID":"6199","InChIKey":"ZCCUUQDIBDJBTK-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H"}
{"metaboliteNames":"xanthotoxin","FOBI":"FOBI:050338","HMDB":"HMDB0014693","KEGG":"C01864","PubChemCID":"4114","InChIKey":"QXKHYNVANLEOEG-UHFFFAOYSA-N","InChICode":"InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3"}
{"metaboliteNames":"3'-methylcatechin 4'-glucuronide","FOBI":"FOBI:08566","InChIKey":"OQBMUBCLLAWJHJ-PYSZTQAZSA-N","InChICode":"InChI=1S/C22H24O12/c1-31-15-4-8(19-12(25)7-10-11(24)5-9(23)6-14(10)32-19)2-3-13(15)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19+,20+,22-/m1/s1"}
{"metaboliteNames":"3'-methylcatechin 5-glucuronide","FOBI":"FOBI:08567","InChIKey":"WMVRRRYTJXAVND-CNDVCMBASA-N","InChICode":"InChI=1S/C22H24O12/c1-31-15-4-8(2-3-11(15)24)19-12(25)7-10-13(32-19)5-9(23)6-14(10)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16-,17-,18+,19+,20-,22+/m0/s1"}
{"metaboliteNames":"3'-methylepicatechin 4'-glucuronide","FOBI":"FOBI:08568","InChIKey":"OQBMUBCLLAWJHJ-FDRKUGEKSA-N","InChICode":"InChI=1S/C22H24O12/c1-31-15-4-8(19-12(25)7-10-11(24)5-9(23)6-14(10)32-19)2-3-13(15)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1"}
{"metaboliteNames":"3'-methylepicatechin 5-glucuronide","FOBI":"FOBI:08569","InChIKey":"WMVRRRYTJXAVND-FDRKUGEKSA-N","InChICode":"InChI=1S/C22H24O12/c1-31-15-4-8(2-3-11(15)24)19-12(25)7-10-13(32-19)5-9(23)6-14(10)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1"}
{"metaboliteNames":"3'-methylepicatechin 7-glucuronide","FOBI":"FOBI:08642","PubChemCID":"101190386","InChIKey":"MZJSKSYVZZIYPF-ZRRVXMDUSA-N","InChICode":"InChI=1S/C22H24O12/c1-31-15-4-8(2-3-11(15)23)19-13(25)7-10-12(24)5-9(6-14(10)33-19)32-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,13,16-20,22-28H,7H2,1H3,(H,29,30)/t13-,16+,17+,18-,19-,20+,22-/m1/s1"}
{"metaboliteNames":"4'-methylepicatechin 3'-glucuronide","FOBI":"FOBI:08643","PubChemCID":"101244286","InChIKey":"PSOMCIRLFFROES-FDRKUGEKSA-N","InChICode":"InChI=1S/C22H24O12/c1-31-13-3-2-8(19-12(25)7-10-11(24)5-9(23)6-14(10)32-19)4-15(13)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1"}
{"metaboliteNames":"4'-methylepicatechin 5-glucuronide","FOBI":"FOBI:08644","InChIKey":"FJHGPEXCGXLNNU-FDRKUGEKSA-N","InChICode":"InChI=1S/C22H24O12/c1-31-13-3-2-8(4-11(13)24)19-12(25)7-10-14(32-19)5-9(23)6-15(10)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1"}
{"metaboliteNames":"4'-methylepicatechin 7-glucuronide","FOBI":"FOBI:08645","InChIKey":"CJPIUMOCTBARLM-ZRRVXMDUSA-N","InChICode":"nChI=1S/C22H24O12/c1-31-14-3-2-8(4-12(14)24)19-13(25)7-10-11(23)5-9(6-15(10)33-19)32-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,13,16-20,22-28H,7H2,1H3,(H,29,30)/t13-,16+,17+,18-,19-,20+,22-/m1/s1"}
{"metaboliteNames":"catechin 4'-glucuronide","FOBI":"FOBI:08646","InChIKey":"FXAMKGHSKXKNHR-DAURTTLQSA-N","InChICode":"InChI=1S/C21H22O12/c22-8-4-10(23)9-6-12(25)18(31-14(9)5-8)7-1-2-13(11(24)3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15-,16-,17?,18+,19?,21+/m0/s1"}
{"metaboliteNames":"catechin 5-glucuronide","FOBI":"FOBI:08647","InChIKey":"KGLMKAPOVXBIJB-AKIQRXPNSA-N","InChICode":"InChI=1S/C21H22O12/c22-8-4-13-9(6-12(25)18(31-13)7-1-2-10(23)11(24)3-7)14(5-8)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15+,16+,17-,18+,19+,21-/m1/s1"}
{"metaboliteNames":"epicatechin 3'-glucuronide","FOBI":"FOBI:08648","PubChemCID":"76969982","InChIKey":"BUONZQIZWIITTB-CVPXIJHMSA-N","InChICode":"InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15+,16+,17-,18-,19+,21-/m1/s1"}
{"metaboliteNames":"epicatechin 4'-glucuronide","FOBI":"FOBI:08649","InChIKey":"FXAMKGHSKXKNHR-CVPXIJHMSA-N","InChICode":"InChI=1S/C21H22O12/c22-8-4-10(23)9-6-12(25)18(31-14(9)5-8)7-1-2-13(11(24)3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15+,16+,17-,18-,19+,21-/m1/s1"}
{"metaboliteNames":"epicatechin 5-glucuronide","FOBI":"FOBI:08650","InChIKey":"KGLMKAPOVXBIJB-SNFOCDISSA-N","InChICode":"InChI=1S/C21H22O12/c22-8-4-13-9(6-12(25)18(31-13)7-1-2-10(23)11(24)3-7)14(5-8)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12?,15-,16-,17+,18?,19-,21+/m0/s1"}
{"metaboliteNames":"epicatechin 7-glucuronide","FOBI":"FOBI:08651","PubChemCID":"76961592","InChIKey":"FDWDKTKDGDLDTP-BBGDWMAASA-N","InChICode":"InChI=1S/C21H22O12/c22-10-2-1-7(3-12(10)24)18-13(25)6-9-11(23)4-8(5-14(9)32-18)31-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,13,15-19,21-28H,6H2,(H,29,30)/t13-,15+,16+,17-,18-,19+,21-/m1/s1"}
{"metaboliteNames":"catechin 3'-sulfate","FOBI":"FOBI:08652","InChIKey":"VBSMBNMUYITMLB-SWLSCSKDSA-N","InChICode":"InChI=1S/C15H14O9S/c16-8-4-11(18)9-6-12(19)15(23-13(9)5-8)7-1-2-10(17)14(3-7)24-25(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15+/m0/s1"}
{"metaboliteNames":"catechin 4'-sulfate","FOBI":"FOBI:08653","InChIKey":"YKRWCINYMPRAIG-SWLSCSKDSA-N","InChICode":"InChI=1S/C15H14O9S/c16-8-4-10(17)9-6-12(19)15(23-14(9)5-8)7-1-2-13(11(18)3-7)24-25(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15+/m0/s1"}
{"metaboliteNames":"catechin 5-sulfate","FOBI":"FOBI:08654","InChIKey":"MWSSRHFQMROXGK-SWLSCSKDSA-N","InChICode":"InChI=1S/C15H14O9S/c16-8-4-13-9(14(5-8)24-25(20,21)22)6-12(19)15(23-13)7-1-2-10(17)11(18)3-7/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15+/m0/s1"}
{"metaboliteNames":"epicatechin 3-sulfate","FOBI":"FOBI:08655","InChIKey":"FLSYXGAHKYHTCZ-HUUCEWRRSA-N","InChICode":"InChI=1S/C15H14O9S/c16-8-4-11(18)9-6-14(24-25(20,21)22)15(23-13(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,14-19H,6H2,(H,20,21,22)/t14-,15-/m1/s1"}
{"metaboliteNames":"epicatechin 3'-sulfate","FOBI":"FOBI:08656","PubChemCID":"71260094","InChIKey":"VBSMBNMUYITMLB-IUODEOHRSA-N","InChICode":"InChI=1S/C15H14O9S/c16-8-4-11(18)9-6-12(19)15(23-13(9)5-8)7-1-2-10(17)14(3-7)24-25(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15-/m1/s1"}
{"metaboliteNames":"epicatechin 4'-sulfate","FOBI":"FOBI:08657","PubChemCID":"71579043","InChIKey":"YKRWCINYMPRAIG-IUODEOHRSA-N","InChICode":"InChI=1S/C15H14O9S/c16-8-4-10(17)9-6-12(19)15(23-14(9)5-8)7-1-2-13(11(18)3-7)24-25(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15-/m1/s1"}
{"metaboliteNames":"epicatechin 5-sulfate","FOBI":"FOBI:08658","PubChemCID":"71579119","InChIKey":"MWSSRHFQMROXGK-IUODEOHRSA-N","InChICode":"InChI=1S/C15H14O9S/c16-8-4-13-9(14(5-8)24-25(20,21)22)6-12(19)15(23-13)7-1-2-10(17)11(18)3-7/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15-/m1/s1"}
{"metaboliteNames":"epicatechin 7-sulfate","FOBI":"FOBI:08659","InChIKey":"RTMISWLJQDWIPT-UKRRQHHQSA-N","InChICode":"InChI=1S/C15H14O9S/c16-10-2-1-7(3-12(10)18)15-13(19)6-9-11(17)4-8(5-14(9)23-15)24-25(20,21)22/h1-5,13,15-19H,6H2,(H,20,21,22)/t13-,15-/m1/s1"}
{"metaboliteNames":"3,4-dihydroxyphenylacetic acid 3-glucuronide","FOBI":"FOBI:08660","InChIKey":"RVIUQHYENGKVCZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C14H16O10/c15-6-2-1-5(4-8(16)17)3-7(6)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14-15,18-20H,4H2,(H,16,17)(H,21,22)"}
{"metaboliteNames":"3,4-dihydroxyphenylacetic acid 4-glucuronide","FOBI":"FOBI:08661","InChIKey":"SOKKQMPCIJPSGH-UHFFFAOYSA-N","InChICode":"InChI=1S/C14H16O10/c15-6-3-5(4-8(16)17)1-2-7(6)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14-15,18-20H,4H2,(H,16,17)(H,21,22)"}
{"metaboliteNames":"3,4-dihydroxyphenylacetic acid 3-sulfate","FOBI":"FOBI:08662","InChIKey":"KAIXMDKRVHGWDK-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O7S/c9-6-2-1-5(4-8(10)11)3-7(6)15-16(12,13)14/h1-3,9H,4H2,(H,10,11)(H,12,13,14)"}
{"metaboliteNames":"3,4-dihydroxyphenylacetic acid 4-sulfate","FOBI":"FOBI:08663","PubChemCID":"193283","InChIKey":"ZQTJTTSZJNFQGJ-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O7S/c9-6-3-5(4-8(10)11)1-2-7(6)15-16(12,13)14/h1-3,9H,4H2,(H,10,11)(H,12,13,14)"}
{"metaboliteNames":"5-(3',4'-dihydroxyphenyl)-γ-valerolactone 4'-sulfate","FOBI":"FOBI:08664","InChIKey":"WAXYAOJFDCCESK-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H12O7S/c12-9-6-7(5-8-2-4-11(13)17-8)1-3-10(9)18-19(14,15)16/h1,3,6,8,12H,2,4-5H2,(H,14,15,16)"}
{"metaboliteNames":"5-(3',5'-dihydroxyphenyl)-γ-valerolactone","FOBI":"FOBI:08665","PubChemCID":"52920453","InChIKey":"WAKFBGOXOFLZLZ-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H12O4/c12-8-3-7(4-9(13)6-8)5-10-1-2-11(14)15-10/h3-4,6,10,12-13H,1-2,5H2"}
{"metaboliteNames":"5-(3'-hydroxyphenyl)-γ-valerolactone","FOBI":"FOBI:08666","InChIKey":"OXASBXALVLRTKO-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H12O3/c12-9-3-1-8(2-4-9)7-10-5-6-11(13)14-10/h1-4,10,12H,5-7H2"}
{"metaboliteNames":"2,3-dihydroxybenzoic acid 2-glucuronide","FOBI":"FOBI:08667","InChIKey":"ZZTMNRLDFVIBTG-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H14O10/c14-5-3-1-2-4(11(18)19)9(5)22-13-8(17)6(15)7(16)10(23-13)12(20)21/h1-3,6-8,10,13-17H,(H,18,19)(H,20,21)"}
{"metaboliteNames":"2,3-dihydroxybenzoic acid 3-glucuronide","FOBI":"FOBI:08668","InChIKey":"WEIFSGICBUHQQV-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H14O10/c14-6-4(11(18)19)2-1-3-5(6)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)"}
{"metaboliteNames":"2,4-dihydroxybenzoic acid 2-glucuronide","FOBI":"FOBI:08669","InChIKey":"JRPJGICIYUNHQW-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H14O10/c14-4-1-2-5(11(18)19)6(3-4)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)"}
{"metaboliteNames":"2,4-dihydroxybenzoic acid 4-glucuronide","FOBI":"FOBI:08670","InChIKey":"HTVZPXVZCIIMAA-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H14O10/c14-6-3-4(1-2-5(6)11(18)19)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)"}
{"metaboliteNames":"2,5-dihydroxybenzoic acid 2-glucuronide","FOBI":"FOBI:08671","InChIKey":"YMTKHYRBSOTLTP-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H14O10/c14-4-1-2-6(5(3-4)11(18)19)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)"}
{"metaboliteNames":"2,5-dihydroxybenzoic acid 5-glucuronide","FOBI":"FOBI:08672","InChIKey":"BCTCNBZWJFQHRF-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H14O10/c14-6-2-1-4(3-5(6)11(18)19)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)"}
{"metaboliteNames":"2,3-dihydroxybenzoic acid 3-sulfate","FOBI":"FOBI:08673","InChIKey":"QDPNFTHYUAKYKM-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O7S/c8-6-4(7(9)10)2-1-3-5(6)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13)"}
{"metaboliteNames":"2,4-dihydroxybenzoic acid 4-sulfate","FOBI":"FOBI:08674","InChIKey":"DRJRXXDGTMEQKU-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O7S/c8-6-3-4(14-15(11,12)13)1-2-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)"}
{"metaboliteNames":"2,5-dihydroxybenzoic acid 5-sulfate","FOBI":"FOBI:08675","PubChemCID":"54473656","InChIKey":"XKAUVSKGVSQBFW-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H6O7S/c8-6-2-1-4(14-15(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)"}
{"metaboliteNames":"hesperetin 5-glucuronide","FOBI":"FOBI:08676","InChIKey":"CBVJYALZVWCCEC-WDXLFLMVSA-N","InChICode":"InChI=1S/C22H22O12/c1-31-12-3-2-8(4-10(12)24)13-7-11(25)16-14(32-13)5-9(23)6-15(16)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t13?,17-,18-,19+,20-,22+/m0/s1"}
{"metaboliteNames":"hesperetin 3'-sulfate","FOBI":"FOBI:08677","PubChemCID":"131750808","InChIKey":"AXWNOFHBYPBYNO-UHFFFAOYSA-N","InChICode":"InChI=1S/C16H14O9S/c1-23-12-3-2-8(4-14(12)25-26(20,21)22)13-7-11(19)16-10(18)5-9(17)6-15(16)24-13/h2-6,13,17-18H,7H2,1H3,(H,20,21,22)"}
{"metaboliteNames":"hesperetin 5-sulfate","FOBI":"FOBI:08678","InChIKey":"QRULBSSBAHHSES-ZDUSSCGKSA-N","InChICode":"InChI=1S/C16H14O9S/c1-23-12-3-2-8(4-10(12)18)13-7-11(19)16-14(24-13)5-9(17)6-15(16)25-26(20,21)22/h2-6,13,17-18H,7H2,1H3,(H,20,21,22)/t13-/m0/s1"}
{"metaboliteNames":"3-(3-hydroxyphenyl)propionic acid glucuronide","FOBI":"FOBI:08679","InChIKey":"YFLHDBYZUJBQGB-DKBOKBLXSA-N","InChICode":"InChI=1S/C15H18O9/c16-9(17)5-4-7-2-1-3-8(6-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-3,6,10-13,15,18-20H,4-5H2,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/m0/s1"}
{"metaboliteNames":"3-(4-hydroxyphenyl)propionic acid glucuronide","FOBI":"FOBI:08680","InChIKey":"WALCYTHTBOWOFF-PDWCTOEPSA-N","InChICode":"InChI=1S/C15H18O9/c16-9(17)6-3-7-1-4-8(5-2-7)23-15(22)13-11(19)10(18)12(20)14(21)24-13/h1-2,4-5,10-14,18-21H,3,6H2,(H,16,17)/t10-,11-,12+,13-,14+/m0/s1"}
{"metaboliteNames":"3-(4-hydroxyphenyl)propionic acid sulfate","FOBI":"FOBI:08682","PubChemCID":"49844036","InChIKey":"YKAVCSNFDHAGEG-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H10O6S/c10-9(11)6-3-7-1-4-8(5-2-7)15-16(12,13)14/h1-2,4-5H,3,6H2,(H,10,11)(H,12,13,14)"}
{"metaboliteNames":"3'-methylepicatechin 4'-sulfate","FOBI":"FOBI:08683","PubChemCID":"71260093","InChIKey":"QGMVQGQNIUVPMC-MLGOLLRUSA-N","InChICode":"InChI=1S/C16H16O9S/c1-23-15-4-8(2-3-13(15)25-26(20,21)22)16-12(19)7-10-11(18)5-9(17)6-14(10)24-16/h2-6,12,16-19H,7H2,1H3,(H,20,21,22)/t12-,16-/m1/s1"}
{"metaboliteNames":"3'-methylepicatechin 5-sulfate","FOBI":"FOBI:08684","InChIKey":"ZFUHNDPCTCXKQO-MLGOLLRUSA-N","InChICode":"InChI=1S/C16H16O9S/c1-23-15-4-8(2-3-11(15)18)16-12(19)7-10-13(24-16)5-9(17)6-14(10)25-26(20,21)22/h2-6,12,16-19H,7H2,1H3,(H,20,21,22)/t12-,16-/m1/s1"}
{"metaboliteNames":"3'-methylepicatechin 7-sulfate","FOBI":"FOBI:08685","InChIKey":"RIKCESGMRQZLKQ-CZUORRHYSA-N","InChICode":"InChI=1S/C16H16O9S/c1-23-15-4-8(2-3-11(15)17)16-13(19)7-10-12(18)5-9(6-14(10)24-16)25-26(20,21)22/h2-6,13,16-19H,7H2,1H3,(H,20,21,22)/t13-,16-/m1/s1"}
{"metaboliteNames":"4'-methylepicatechin 3'-sulfate","FOBI":"FOBI:08686","InChIKey":"PCLCJMJFLFTHDU-MLGOLLRUSA-N","InChICode":"InChI=1S/C16H16O9S/c1-23-13-3-2-8(4-15(13)25-26(20,21)22)16-12(19)7-10-11(18)5-9(17)6-14(10)24-16/h2-6,12,16-19H,7H2,1H3,(H,20,21,22)/t12-,16-/m1/s1"}
{"metaboliteNames":"4'-methylepicatechin 5-sulfate","FOBI":"FOBI:08687","PubChemCID":"71579213","InChIKey":"JSNCQMRECHVQQQ-MLGOLLRUSA-N","InChICode":"InChI=1S/C16H16O9S/c1-23-13-3-2-8(4-11(13)18)16-12(19)7-10-14(24-16)5-9(17)6-15(10)25-26(20,21)22/h2-6,12,16-19H,7H2,1H3,(H,20,21,22)/t12-,16-/m1/s1"}
{"metaboliteNames":"4'-methylepicatechin 7-sulfate","FOBI":"FOBI:08688","InChIKey":"NCEYJABYRYYGNC-CZUORRHYSA-N","InChICode":"InChI=1S/C16H16O9S/c1-23-14-3-2-8(4-12(14)18)16-13(19)7-10-11(17)5-9(6-15(10)24-16)25-26(20,21)22/h2-6,13,16-19H,7H2,1H3,(H,20,21,22)/t13-,16-/m1/s1"}
{"metaboliteNames":"3-methylgallic acid 4-glucuronide","FOBI":"FOBI:08689","InChIKey":"XFEXVGIHNGUIFM-UHFFFAOYSA-N","InChICode":"InChI=1S/C14H16O11/c1-23-6-3-4(12(19)20)2-5(15)10(6)24-14-9(18)7(16)8(17)11(25-14)13(21)22/h2-3,7-9,11,14-18H,1H3,(H,19,20)(H,21,22)"}
{"metaboliteNames":"3-methylgallic acid 5-glucuronide","FOBI":"FOBI:08690","InChIKey":"ILWDNUVZYSRINE-UHFFFAOYSA-N","InChICode":"InChI=1S/C14H16O11/c1-23-5-2-4(12(19)20)3-6(7(5)15)24-14-10(18)8(16)9(17)11(25-14)13(21)22/h2-3,8-11,14-18H,1H3,(H,19,20)(H,21,22)"}
{"metaboliteNames":"4-methylgallic acid 3-glucuronide","FOBI":"FOBI:08691","InChIKey":"OEYVJQPXEVSKDH-NJNVDNPHSA-N","InChICode":"InChI=1S/C14H16O11/c1-23-10-5(15)2-4(12(19)20)3-6(10)24-14-9(18)7(16)8(17)11(25-14)13(21)22/h2-3,7-9,11,14-18H,1H3,(H,19,20)(H,21,22)/t7-,8?,9?,11-,14+/m0/s1"}
{"metaboliteNames":"3-methylgallic acid 4-sulfate","FOBI":"FOBI:08692","InChIKey":"QUGZPKOJDPDIDP-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O8S/c1-15-6-3-4(8(10)11)2-5(9)7(6)16-17(12,13)14/h2-3,9H,1H3,(H,10,11)(H,12,13,14)"}
{"metaboliteNames":"3-methylgallic acid 5-sulfate","FOBI":"FOBI:08693","InChIKey":"JIMIRVGENXXZSQ-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H10O8S/c1-15-5-2-4(8(10)11)3-6(7(5)9)16-17(12,13)14/h2-3,5,7,9H,1H3,(H,10,11)(H,12,13,14)"}
{"metaboliteNames":"4-methylgallic acid 3-sulfate","FOBI":"FOBI:08694","PubChemCID":"10825483","InChIKey":"LMJIEJLSDJBABY-UHFFFAOYSA-N","InChICode":"InChI=1S/C8H8O8S/c1-15-7-5(9)2-4(8(10)11)3-6(7)16-17(12,13)14/h2-3,9H,1H3,(H,10,11)(H,12,13,14)","ChemSpider":"9000783"}
{"metaboliteNames":"1-methylpyrogallol 2-glucuronide","FOBI":"FOBI:08695","InChIKey":"WIRBFTWUCRQZDH-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H16O9/c1-20-6-4-2-3-5(14)10(6)21-13-9(17)7(15)8(16)11(22-13)12(18)19/h2-4,7-9,11,13-17H,1H3,(H,18,19)"}
{"metaboliteNames":"1-methylpyrogallol 3-glucuronide","FOBI":"FOBI:08696","InChIKey":"ZCXVNAUYGLECEF-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H16O9/c1-20-5-3-2-4-6(7(5)14)21-13-10(17)8(15)9(16)11(22-13)12(18)19/h2-4,8-11,13-17H,1H3,(H,18,19)"}
{"metaboliteNames":"2-methylpyrogallol 1-glucuronide","FOBI":"FOBI:08697","InChIKey":"PCYIQKIPHUBFMX-JDQAZDLZSA-N","InChICode":"InChI=1S/C13H16O9/c1-20-10-5(14)3-2-4-6(10)21-13-9(17)7(15)8(16)11(22-13)12(18)19/h2-4,7-9,11,13-17H,1H3,(H,18,19)/t7-,8-,9+,11-,13+/m0/s1"}
{"metaboliteNames":"1-methylpyrogallol 2-sulfate","FOBI":"FOBI:08698","InChIKey":"DIWVSUYQBQOOTK-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8O6S/c1-12-6-4-2-3-5(8)7(6)13-14(9,10)11/h2-4,8H,1H3,(H,9,10,11)"}
{"metaboliteNames":"1-methylpyrogallol 3-sulfate","FOBI":"FOBI:08699","InChIKey":"NTXOJWKIHIOUQN-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8O6S/c1-12-5-3-2-4-6(7(5)8)13-14(9,10)11/h2-4,8H,1H3,(H,9,10,11)"}
{"metaboliteNames":"2-methylpyrogallol 1-sulfate","FOBI":"FOBI:08700","PubChemCID":"122164840","InChIKey":"ARLAWMCEVZUXEY-UHFFFAOYSA-N","InChICode":"InChI=1S/C7H8O6S/c1-12-7-5(8)3-2-4-6(7)13-14(9,10)11/h2-4,8H,1H3,(H,9,10,11)"}
{"metaboliteNames":"naringenin 4'-glucuronide","FOBI":"FOBI:08701","PubChemCID":"91312540","InChIKey":"DFIUUCDSSKATFP-DNPGXZAYSA-N","InChICode":"InChI=1S/C21H20O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16-,17-,18+,19-,21+/m0/s1"}
{"metaboliteNames":"naringenin 5-glucuronide","FOBI":"FOBI:08702","PubChemCID":"101242747","InChIKey":"ZTQGTBHHQGGBSV-ATVZYYHQSA-N","InChICode":"InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)12-7-11(24)15-13(30-12)5-10(23)6-14(15)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,12,16-19,21-23,25-27H,7H2,(H,28,29)/t12?,16-,17-,18+,19-,21+/m0/s1"}
{"metaboliteNames":"naringenin 4'-sulfate","FOBI":"FOBI:08703","PubChemCID":"11078674","InChIKey":"LQAWJBRSYCPTLK-ZDUSSCGKSA-N","InChICode":"InChI=1S/C15H12O8S/c16-9-5-11(17)15-12(18)7-13(22-14(15)6-9)8-1-3-10(4-2-8)23-24(19,20)21/h1-6,13,16-17H,7H2,(H,19,20,21)/t13-/m0/s1"}
{"metaboliteNames":"naringenin 5-sulfate","FOBI":"FOBI:08704","InChIKey":"TUKMNFQGFNNJQM-UHFFFAOYSA-O","InChICode":"InChI=1S/C15H12O8S/c16-9-3-1-8(2-4-9)12-7-11(18)15-13(22-12)5-10(17)6-14(15)23-24(19,20)21/h1-6,12,16-17H,7H2,(H,19,20,21)/p+1"}
{"metaboliteNames":"naringenin 7-sulfate","FOBI":"FOBI:08705","InChIKey":"LCXKYLMSILXZFG-ZDUSSCGKSA-N","InChICode":"InChI=1S/C15H12O8S/c16-9-3-1-8(2-4-9)13-7-12(18)15-11(17)5-10(6-14(15)22-13)23-24(19,20)21/h1-6,13,16-17H,7H2,(H,19,20,21)/t13-/m0/s1"}
{"metaboliteNames":"urolithin a 3-glucuronide","FOBI":"FOBI:08706","PubChemCID":"102579638","InChIKey":"KXBXNRJGUDTJQS-KSPMYQCISA-N","InChICode":"InChI=1S/C19H16O10/c20-7-1-3-9-10-4-2-8(6-12(10)28-18(26)11(9)5-7)27-19-15(23)13(21)14(22)16(29-19)17(24)25/h1-6,13-16,19-23H,(H,24,25)/t13-,14-,15+,16-,19+/m0/s1"}
{"metaboliteNames":"urolithin a 8-glucuronide","FOBI":"FOBI:08707","PubChemCID":"131708293","InChIKey":"QMPHAAMUHRNZSL-KSPMYQCISA-N","InChICode":"InChI=1S/C19H16O10/c20-7-1-3-10-9-4-2-8(6-11(9)18(26)28-12(10)5-7)27-19-15(23)13(21)14(22)16(29-19)17(24)25/h1-6,13-16,19-23H,(H,24,25)/t13-,14-,15+,16-,19+/m0/s1"}
{"metaboliteNames":"urolithin a 3-sulfate","FOBI":"FOBI:08708","InChIKey":"WMPNAWQWWZFJTQ-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H8O7S/c14-7-1-3-9-10-4-2-8(20-21(16,17)18)6-12(10)19-13(15)11(9)5-7/h1-6,14H,(H,16,17,18)"}
{"metaboliteNames":"urolithin a 8-sulfate","FOBI":"FOBI:08709","InChIKey":"WMPNAWQWWZFJTQ-UHFFFAOYSA-N","InChICode":"InChI=1S/C13H8O7S/c14-7-1-3-9-10-4-2-8(20-21(16,17)18)6-12(10)19-13(15)11(9)5-7/h1-6,14H,(H,16,17,18)"}
{"metaboliteNames":"5-(4’-hydroxyphenyl)-γ-valerolactone 4'-glucuronide","FOBI":"FOBI:08710","InChIKey":"FTDMUGVYLIJMHW-JLBGVFTDSA-N","InChICode":"InChI=1S/C17H20O9/c18-11-6-5-10(24-11)7-8-1-3-9(4-2-8)25-17-14(21)12(19)13(20)15(26-17)16(22)23/h1-4,10,12-15,17,19-21H,5-7H2,(H,22,23)/t10?,12-,13?,14?,15-,17+/m0/s1"}
{"metaboliteNames":"5-(4’-hydroxyphenyl)-γ-valerolactone","FOBI":"FOBI:08711","InChIKey":"OXASBXALVLRTKO-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H12O3/c12-9-3-1-8(2-4-9)7-10-5-6-11(13)14-10/h1-4,10,12H,5-7H2"}
{"metaboliteNames":"4-hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid","FOBI":"FOBI:08803","InChIKey":"QKRQBODPNMXFLS-QMMMGPOBSA-N","InChICode":"InChI=1S/C11H14O5/c12-8(1-2-11(15)16)3-7-4-9(13)6-10(14)5-7/h4-6,8,12-14H,1-3H2,(H,15,16)/t8-/m0/s1"}
{"metaboliteNames":"4-hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid glucuronide","FOBI":"FOBI:08804","InChIKey":"WLNKHXJGCCKROC-ZWLNVBLQSA-N","InChICode":"InChI=1S/C17H22O11/c18-8(1-2-11(20)21)3-7-4-9(19)6-10(5-7)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h4-6,8,12-15,17-19,22-24H,1-3H2,(H,20,21)(H,25,26)/t8?,12-,13?,14?,15-,17+/m0/s1"}
{"metaboliteNames":"4-hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid sulfate","FOBI":"FOBI:08805","InChIKey":"KZIXDBSFYKKBMP-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H14O8S/c12-8(1-2-11(14)15)3-7-4-9(13)6-10(5-7)19-20(16,17)18/h4-6,8,12-13H,1-3H2,(H,14,15)(H,16,17,18)"}
{"metaboliteNames":"3,4-dihydroxyphenylvaleric acid","FOBI":"FOBI:08806","PubChemCID":"49831816","InChIKey":"KTDWBJGUMIZRHU-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H14O4/c12-9-6-5-8(7-10(9)13)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15)"}
{"metaboliteNames":"3,4-dihydroxyphenylvaleric acid 3 glucuronide","FOBI":"FOBI:08807","InChIKey":"PFXCVFMGZFVRNQ-IASGZQPQSA-N","InChICode":"InChI=1S/C17H22O10/c18-9-6-5-8(3-1-2-4-11(19)20)7-10(9)26-17-14(23)12(21)13(22)15(27-17)16(24)25/h5-7,12-15,17-18,21-23H,1-4H2,(H,19,20)(H,24,25)/t12-,13?,14?,15-,17+/m0/s1"}
{"metaboliteNames":"3,4-dihydroxyphenylvaleric acid 3 sulfate","FOBI":"FOBI:08808","InChIKey":"OUPGXCOAIUBOQD-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H14O7S/c12-9-6-5-8(3-1-2-4-11(13)14)7-10(9)18-19(15,16)17/h5-7,12H,1-4H2,(H,13,14)(H,15,16,17)"}
{"metaboliteNames":"3,4-dihydroxyphenylvaleric acid 4 glucuronide","FOBI":"FOBI:08809","InChIKey":"UGIYSEJJABCPSW-NQKOESPWSA-N","InChICode":"InChI=1S/C17H22O10/c18-9-7-8(3-1-2-4-11(19)20)5-6-10(9)26-17-14(23)12(21)13(22)15(27-17)16(24)25/h5-7,12-15,17-18,21-23H,1-4H2,(H,19,20)(H,24,25)/t12-,13?,14?,15-,17+/m1/s1"}
{"metaboliteNames":"3,4-dihydroxyphenylvaleric acid 4 sulfate","FOBI":"FOBI:08810","InChIKey":"CABZBRSEXWBGOQ-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H14O7S/c12-9-7-8(3-1-2-4-11(13)14)5-6-10(9)18-19(15,16)17/h5-7,12H,1-4H2,(H,13,14)(H,15,16,17)"}
{"metaboliteNames":"3,5-dihydroxyphenylvaleric acid","FOBI":"FOBI:08811","InChIKey":"QHXNJIMVPAFCPR-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H14O4/c12-9-5-8(6-10(13)7-9)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15)"}
{"metaboliteNames":"3,5-dihydroxyphenylvaleric acid glucuronide","FOBI":"FOBI:08812","InChIKey":"RLPWWOIWKYLCFU-IASGZQPQSA-N","InChICode":"InChI=1S/C17H22O10/c18-9-5-8(3-1-2-4-11(19)20)6-10(7-9)26-17-14(23)12(21)13(22)15(27-17)16(24)25/h5-7,12-15,17-18,21-23H,1-4H2,(H,19,20)(H,24,25)/t12-,13?,14?,15-,17+/m0/s1"}
{"metaboliteNames":"3,5-dihydroxyphenylvaleric acid sulfate","FOBI":"FOBI:08813","InChIKey":"GXGQOCNOANVHKV-UHFFFAOYSA-N","InChICode":"InChI=1S/C11H14O7S/c12-9-5-8(3-1-2-4-11(13)14)6-10(7-9)18-19(15,16)17/h5-7,12H,1-4H2,(H,13,14)(H,15,16,17)"}
{"metaboliteNames":"3,5-dihydroxycinnamic acid","FOBI":"FOBI:08814","PubChemCID":"6443769","InChIKey":"MFFCZSWTQMCKFP-OWOJBTEDSA-N","InChICode":"InChI=1S/C9H8O4/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5,10-11H,(H,12,13)/b2-1+","ChemSpider":"4947733"}
{"metaboliteNames":"3,5-dihydroxycinnamic acid glucuronide","FOBI":"FOBI:08815","InChIKey":"YIAFSKCUHLQEAH-MEPLRXLMSA-N","InChICode":"InChI=1S/C15H16O10/c16-7-3-6(1-2-9(17)18)4-8(5-7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b2-1+/t10-,11?,12?,13-,15+/m1/s1"}
{"metaboliteNames":"3,5-dihydroxycinnamic acid sulfate","FOBI":"FOBI:08816","InChIKey":"KTPBHOMURDURSV-OWOJBTEDSA-N","InChICode":"InChI=1S/C9H8O7S/c10-7-3-6(1-2-9(11)12)4-8(5-7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b2-1+"}
{"metaboliteNames":"n-(3,5-dihydroxybenzoyl)glycine","FOBI":"FOBI:08817","PubChemCID":"71389989","InChIKey":"RJGLFRQXIDISBX-UHFFFAOYSA-N","InChICode":"InChI=1S/C9H9NO5/c11-6-1-5(2-7(12)3-6)9(15)10-4-8(13)14/h1-3,11-12H,4H2,(H,10,15)(H,13,14)"}
{"metaboliteNames":"alanine betaine","FOBI":"FOBI:08818","PubChemCID":"78265175","InChIKey":"CJKONRHMUGBAQI-YFKPBYRVSA-N","InChICode":"InChI=1S/C6H13NO2/c1-5(6(8)9)7(2,3)4/h5H,1-4H3/t5-/m0/s1"}
{"metaboliteNames":"valine betaine","FOBI":"FOBI:08819","InChIKey":"REWYJJRDEOKNBQ-ZETCQYMHSA-O","InChICode":"InChI=1S/C8H17NO2/c1-6(2)7(8(10)11)9(3,4)5/h6-7H,1-5H3/p+1/t7-/m0/s1"}
{"metaboliteNames":"phenylalanine betaine","FOBI":"FOBI:08820","PubChemCID":"25837691","InChIKey":"XTFQIRIHLGODFV-NSHDSACASA-N","InChICode":"InChI=1S/C12H17NO2/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1"}
{"metaboliteNames":"pipecolic acid betaine","FOBI":"FOBI:08821","PubChemCID":"441447","InChIKey":"XULZWQRXYTVUTE-ZETCQYMHSA-N","InChICode":"InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3/t7-/m0/s1","ChemSpider":"390180"}
{"metaboliteNames":"phytic acid","FOBI":"FOBI:08822","HMDB":"HMDB03502","PubChemCID":"890","InChIKey":"IMQLKJBTEOYOSI-UHFFFAOYSA-N","InChICode":"InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)","ChemSpider":"866"}
{"metaboliteNames":"benzoic acid","FOBI":"FOBI:050001","HMDB":"HMDB0001870","KEGG":"C00539","InChIKey":"WPYMKLBDIGXBTP-UHFFFAOYSA-N"}
{"metaboliteNames":"2,6-dihydroxybenzoic acid glucuronide","FOBI":"FOBI:050002","InChIKey":"UNZWRTIHFRATTA-UHFFFAOYSA-N"}
{"metaboliteNames":"2,3-dihydroxybenzoic acid 2-sulfate","FOBI":"FOBI:050003","InChIKey":"AKVBVZKHKYRBGR-UHFFFAOYSA-N"}
{"metaboliteNames":"2,4-dihydroxybenzoic acid 2-sulfate","FOBI":"FOBI:050004","InChIKey":"QHDLTZVVAZWIPB-UHFFFAOYSA-N"}
{"metaboliteNames":"2,5-dihydroxybenzoic acid 2-sulfate","FOBI":"FOBI:050005","InChIKey":"KCEDAVRJNCRNGJ-UHFFFAOYSA-N"}
{"metaboliteNames":"2,6-dihydroxybenzoic acid sulfate","FOBI":"FOBI:050006","InChIKey":"OBLLRWZSZCYGCW-UHFFFAOYSA-N"}
{"metaboliteNames":"phenylacetic acid","FOBI":"FOBI:050007","HMDB":"HMDB0000209","KEGG":"C07086","InChIKey":"WLJVXDMOQOGPHL-UHFFFAOYSA-N"}
{"metaboliteNames":"trans-cinnamic acid","FOBI":"FOBI:050008","HMDB":"HMDB0000930","KEGG":"C10438","InChIKey":"WBYWAXJHAXSJNI-VOTSOKGWSA-N"}
{"metaboliteNames":"cis p-coumaric acid","FOBI":"FOBI:050009","HMDB":"HMDB0030677","KEGG":"C06738","InChIKey":"NGSWKAQJJWESNS-UTCJRWHESA-N"}
{"metaboliteNames":"cis p-coumaric acid glucuronide","FOBI":"FOBI:050010","InChIKey":"SOKJXEKPKWKYKR-ARYKGQTKSA-N"}
{"metaboliteNames":"cis p-coumaric acid sulfate","FOBI":"FOBI:050011","InChIKey":"OYDCCWNLILCHDJ-UTCJRWHESA-N"}
{"metaboliteNames":"cis ferulic acid","FOBI":"FOBI:050012","InChIKey":"KSEBMYQBYZTDHS-HYXAFXHYSA-N"}
{"metaboliteNames":"cis ferulic acid 4-glucuronide","FOBI":"FOBI:050013","InChIKey":"TWSIWBHKRJLZCF-XGYWJOOESA-N"}
{"metaboliteNames":"cis ferulic acid 4-sulfate","FOBI":"FOBI:050014","InChIKey":"PZPATWACAAOHTJ-HYXAFXHYSA-N"}
{"metaboliteNames":"cis sinapic acid","FOBI":"FOBI:050015","HMDB":"HMDB0034069","InChIKey":"PCMORTLOPMLEFB-ARJAWSKDSA-N"}
{"metaboliteNames":"phenylpropionic acid","FOBI":"FOBI:050016","HMDB":"HMDB0000764","KEGG":"C05629","InChIKey":"XMIIGOLPHOKFCH-UHFFFAOYSA-N"}
{"metaboliteNames":"3-(2-hydroxyphenyl)propionic acid","FOBI":"FOBI:050017","HMDB":"HMDB0033752","KEGG":"C01198","InChIKey":"CJBDUOMQLFKVQC-UHFFFAOYSA-N"}
{"metaboliteNames":"3-(2-hydroxyphenyl)propionic acid glucuronide","FOBI":"FOBI:050018","InChIKey":"VNFALAKTVPEPJX-UHFFFAOYSA-N"}
{"metaboliteNames":"3-(2-hydroxyphenyl)propionic acid sulfate","FOBI":"FOBI:050019","InChIKey":"GFRZSBZWGKDEGA-UHFFFAOYSA-N"}
{"metaboliteNames":"3-(3,5-dihydroxyphenyl)pentanoic acid","FOBI":"FOBI:050020","HMDB":"HMDB0240450","InChIKey":"QHXNJIMVPAFCPR-UHFFFAOYSA-N"}
{"metaboliteNames":"3-(3,5-dihydroxyphenyl)pentanoic acid glucuronide","FOBI":"FOBI:050021","HMDB":"HMDB0240451","InChIKey":"RLPWWOIWKYLCFU-IASGZQPQSA-N"}
{"metaboliteNames":"3-(3,5-dihydroxyphenyl)pentanoic acid sulfate","FOBI":"FOBI:050022","HMDB":"HMDB0240452","InChIKey":"GXGQOCNOANVHKV-UHFFFAOYSA-N"}
{"metaboliteNames":"2-(3,5-dihydroxyphenyl)ethanol sulfate","FOBI":"FOBI:050023","InChIKey":"QGXITCCVKOBDDI-UHFFFAOYSA-N"}
{"metaboliteNames":"catechin 3-glucuronide","FOBI":"FOBI:050024","HMDB":"HMDB0240434","InChIKey":"KZOBTPYFLMPYPM-UKDLGEHVSA-N"}
{"metaboliteNames":"catechin 7-glucuronide","FOBI":"FOBI:050025","HMDB":"HMDB0127727","InChIKey":"FDWDKTKDGDLDTP-QCBBCZTKSA-N"}
{"metaboliteNames":"catechin 3'-glucuronide","FOBI":"FOBI:050026","HMDB":"HMDB0127728","InChIKey":"BUONZQIZWIITTB-FSDQAXRCSA-N"}
{"metaboliteNames":"epicatechin 3-glucuronide","FOBI":"FOBI:050027","HMDB":"HMDB0240435","InChIKey":"KZOBTPYFLMPYPM-NRZZOOGVSA-N"}
{"metaboliteNames":"catechin 3-sulfate","FOBI":"FOBI:050028","HMDB":"HMDB0240437","InChIKey":"FLSYXGAHKYHTCZ-LSDHHAIUSA-N"}
{"metaboliteNames":"catechin 7-sulfate","FOBI":"FOBI:050029","HMDB":"HMDB0240436","InChIKey":"RTMISWLJQDWIPT-DZGCQCFKSA-N"}
{"metaboliteNames":"matairesinol","FOBI":"FOBI:050030","HMDB":"HMDB0035698","KEGG":"C10682","PubChemCID":"119205","InChIKey":"MATGKVZWFZHCLI-LSDHHAIUSA-N","InChICode":"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1","ChemSpider":"306665"}
{"metaboliteNames":"hydroxymatairesinol 4'-glucuronide","FOBI":"FOBI:050031","InChIKey":"GUJNNQFVFGFZPK-UHFFFAOYSA-N"}
{"metaboliteNames":"hydroxymatairesinol 4''-glucuronide","FOBI":"FOBI:050032","InChIKey":"HUFQFNXBADQYPW-UHFFFAOYSA-N"}
{"metaboliteNames":"hydroxymatairesinol 7-glucuronide","FOBI":"FOBI:050033","InChIKey":"CHGHIPGTRZZHEK-UHFFFAOYSA-N"}
{"metaboliteNames":"secoisolariciresinol","FOBI":"FOBI:050034","HMDB":"HMDB0013692","KEGG":"C18167","PubChemCID":"11646293","InChIKey":"PUETUDUXMCLALY-HOTGVXAUSA-N","InChICode":"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1","ChemSpider":"58845"}
{"metaboliteNames":"secoisolariciresinol 9-glucuronide","FOBI":"FOBI:050035","InChIKey":"MONLZYFGSVIHQC-UHFFFAOYSA-N"}
{"metaboliteNames":"secoisolariciresinol 4-glucuronide","FOBI":"FOBI:050036","InChIKey":"KEJQZUWQIORRTE-UHFFFAOYSA-N"}
{"metaboliteNames":"secoisolariciresinol 9-sulfate","FOBI":"FOBI:050037","InChIKey":"FGMVDFZVCZUDGI-UHFFFAOYSA-N"}
{"metaboliteNames":"secoisolariciresinol 4-sulfate","FOBI":"FOBI:050038","InChIKey":"UYIGCUYDCWYJAR-UHFFFAOYSA-N"}
{"metaboliteNames":"isolariciresinol 9-glucuronide","FOBI":"FOBI:050039","InChIKey":"WMJINTSGOMLXDT-UHFFFAOYSA-N"}
{"metaboliteNames":"isolariciresinol 9'-glucuronide","FOBI":"FOBI:050040","InChIKey":"RVMYIRMLUMZKLQ-UHFFFAOYSA-N"}
{"metaboliteNames":"isolariciresinol 4'-glucuronide","FOBI":"FOBI:050041","InChIKey":"VWNRXGBNZAPMCJ-UHFFFAOYSA-N"}
{"metaboliteNames":"isolariciresinol 9-sulfate","FOBI":"FOBI:050042","InChIKey":"QNELQQQFSCPAJP-UHFFFAOYSA-N"}
{"metaboliteNames":"isolariciresinol 9'-sulfate","FOBI":"FOBI:050043","InChIKey":"IHFCQBGVSIXPDS-UHFFFAOYSA-N"}
{"metaboliteNames":"isolariciresinol 4'-sulfate","FOBI":"FOBI:050044","InChIKey":"CKOBBDMKLAJVHB-UHFFFAOYSA-N"}
{"metaboliteNames":"lariciresinol 9-sulfate","FOBI":"FOBI:050045","InChIKey":"BGUMMAWETHOVOG-UHFFFAOYSA-N"}
{"metaboliteNames":"lariciresinol 4-sulfate","FOBI":"FOBI:050046","InChIKey":"NVHDQFSKGFJRQV-UHFFFAOYSA-N"}
{"metaboliteNames":"lariciresinol 4'-sulfate","FOBI":"FOBI:050047","InChIKey":"CYLGJKHAMHUFLA-UHFFFAOYSA-N"}
{"metaboliteNames":"pinoresinol glucuronide","FOBI":"FOBI:050048","InChIKey":"HUUUQHZJAPVLRH-UHFFFAOYSA-N"}
{"metaboliteNames":"pinoresinol sulfate","FOBI":"FOBI:050049","InChIKey":"ODEQQZORHQBZKE-UHFFFAOYSA-N"}
{"metaboliteNames":"syringaresinol glucuronide","FOBI":"FOBI:050050","InChIKey":"ARWUARNRTRQSHW-UHFFFAOYSA-N"}
{"metaboliteNames":"syringaresinol sulfate","FOBI":"FOBI:050051","InChIKey":"ABKGSMJYGPRITK-UHFFFAOYSA-N"}
{"metaboliteNames":"medioresinol 4-sulfate","FOBI":"FOBI:050052","InChIKey":"CNEMQJLKVHMVEC-UHFFFAOYSA-N"}
{"metaboliteNames":"medioresinol 4'-sulfate","FOBI":"FOBI:050053","InChIKey":"TXGJJYHARFIBHU-UHFFFAOYSA-N"}
{"metaboliteNames":"2-hydroxy-N-(2-hydroxyphenyl)acetamide","FOBI":"FOBI:050054","HMDB":"HMDB0240370","InChIKey":"OYHOCUAXXOWENX-UHFFFAOYSA-N"}
{"metaboliteNames":"2-hydroxy-N-(2-hydroxyphenyl)acetamide glucuronide","FOBI":"FOBI:050055","HMDB":"HMDB0240379","InChIKey":"FGIQLOOXJCVVDO-BYNIDDHOSA-N"}
{"metaboliteNames":"2-hydroxy-N-(2-hydroxyphenyl)acetamide sulfate","FOBI":"FOBI:050056","HMDB":"HMDB0240380","InChIKey":"DJBPGIGCPUYIGS-UHFFFAOYSA-N"}
{"metaboliteNames":"2-hydroxy-7-methoxy-1,4-benzoxazin-3-one glucuronide","FOBI":"FOBI:050057","InChIKey":"XKCARXNTRUGKNV-CSHDOIFSSA-N"}
{"metaboliteNames":"2-hydroxy-7-methoxy-1,4-benzoxazin-3-one sulfate","FOBI":"FOBI:050058","InChIKey":"LIVXQZBSLFQWSH-UHFFFAOYSA-N"}
{"metaboliteNames":"2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one glucuronide","FOBI":"FOBI:050059","InChIKey":"BKFNTANIRVOYGT-UHFFFAOYSA-N"}
{"metaboliteNames":"2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one sulfate","FOBI":"FOBI:050060","InChIKey":"BKFNTANIRVOYGT-UHFFFAOYSA-N"}
{"metaboliteNames":"Avenanthramide A","FOBI":"FOBI:050061","HMDB":"HMDB0038577","KEGG":"C08472","InChIKey":"QGUMNWHANDITDB-FPYGCLRLSA-N"}
{"metaboliteNames":"Avenanthramide B","FOBI":"FOBI:050062","HMDB":"HMDB0038575","InChIKey":"JXFZHMCSCYADIX-XVNBXDOJSA-N"}
{"metaboliteNames":"Avenanthramide C","FOBI":"FOBI:050063","HMDB":"HMDB0038576","InChIKey":"IDUUXROOZBOOPH-QHHAFSJGSA-N"}
{"metaboliteNames":"Avenanthramide O","FOBI":"FOBI:050064","HMDB":"HMDB0033193","InChIKey":"FRNDILDQFSAXAR-ZPUQHVIOSA-N"}
{"metaboliteNames":"Avenanthramide P","FOBI":"FOBI:050065","InChIKey":"UXYPQEDKRALATQ-ZUVMSYQZSA-N"}
{"metaboliteNames":"Avenanthramide Q","FOBI":"FOBI:050066","InChIKey":"ICQWGSPTLPRZPP-ZPUQHVIOSA-N"}
{"metaboliteNames":"Avenacoside A","FOBI":"FOBI:050067","HMDB":"HMDB0033815","KEGG":"C08887","InChIKey":"AAJHVVLGKCKBSH-UHFFFAOYSA-N"}
{"metaboliteNames":"Avenacoside B","FOBI":"FOBI:050068","HMDB":"HMDB0033802","KEGG":"C08888","InChIKey":"FINVSZXHUNAWLI-UHFFFAOYSA-N"}
{"metaboliteNames":"2,5-furandicarboxylic acid","FOBI":"FOBI:050069","HMDB":"HMDB0004812","KEGG":"C20450","InChIKey":"CHTHALBTIRVDBM-UHFFFAOYSA-N"}
{"metaboliteNames":"2-amino-3H-phenoxazin-3-one","FOBI":"FOBI:050076","HMDB":"HMDB0030483","KEGG":"C02161","InChIKey":"RDJXPXHQENRCNG-UHFFFAOYSA-N"}
{"metaboliteNames":"2-amino-7-methoxy-3H-phenoxazin-3-one","FOBI":"FOBI:050077","InChIKey":"DDHPPCVMQOXUFB-UHFFFAOYSA-N"}
{"metaboliteNames":"2-acetylamino-3H-phenoxazin-3-one","FOBI":"FOBI:050078","HMDB":"HMDB0240369","InChIKey":"DWOBTNSFRDZSMA-UHFFFAOYSA-N"}
{"metaboliteNames":"2-acetylamino-7-methoxy-3H-phenoxazin-3-one","FOBI":"FOBI:050079","InChIKey":"DOTQQODPKREUTR-UHFFFAOYSA-N"}
{"metaboliteNames":"hypaphorine","FOBI":"FOBI:050080","HMDB":"HMDB0061115","KEGG":"C09213","InChIKey":"AOHCBEAZXHZMOR-ZDUSSCGKSA-N"}
{"metaboliteNames":"aminovaleric acid betaine","FOBI":"FOBI:050081","InChIKey":"CDLVFVFTRQPQFU-UHFFFAOYSA-N"}
{"metaboliteNames":"salsolinol","FOBI":"FOBI:050082","HMDB":"HMDB0042012","KEGG":"C09642","InChIKey":"IBRKLUSXDYATLG-LURJTMIESA-N"}
{"metaboliteNames":"salsolinol 7-sulfate","FOBI":"FOBI:050083","InChIKey":"MQMJQDWEMNNNLR-UHFFFAOYSA-N"}
{"metaboliteNames":"salsolinol 6-sulfate","FOBI":"FOBI:050084","InChIKey":"DFPNWHGWIXZYTR-UHFFFAOYSA-N"}