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CHEBI:188004 - Apigenin 7-galacturonide

ChEBI IDCHEBI:188004
ChEBI NameApigenin 7-galacturonide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O11
Net Charge0
Average Mass446.364
Monoisotopic Mass446.08491
SMILESO=C(O)C1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)[C@@H](O)[C@H]1O
InChIInChI=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
InChIKeyJBFOLLJCGUCDQP-BWZUQWQCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Apigenin 7-galacturonide (CHEBI:188004) is a flavonoids (CHEBI:72544)
Apigenin 7-galacturonide (CHEBI:188004) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3R,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
24843399ChemSpider
LMPK12110345LIPID MAPS