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CHEBI:188163 - Apigenin 7-glucuronosyl-(1->2)-glucuronide

ChEBI IDCHEBI:188163
ChEBI NameApigenin 7-glucuronosyl-(1->2)-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H26O17
Net Charge0
Average Mass622.488
Monoisotopic Mass622.11700
SMILESO=C(O)C1O[C@@H](OC2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(C(=O)O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C27H26O17/c28-9-3-1-8(2-4-9)13-7-12(30)15-11(29)5-10(6-14(15)41-13)40-27-23(19(34)18(33)22(43-27)25(38)39)44-26-20(35)16(31)17(32)21(42-26)24(36)37/h1-7,16-23,26-29,31-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20?,21?,22?,23?,26-,27+/m0/s1
InChIKeySJFTVAAHLRFBST-GQIZHPGISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Apigenin 7-glucuronosyl-(1->2)-glucuronide (CHEBI:188163) is a flavonoids (CHEBI:72544)
Apigenin 7-glucuronosyl-(1->2)-glucuronide (CHEBI:188163) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3S,4S,6R)-6-[(2S,4S,5S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
24843413ChemSpider
LMPK12110359LIPID MAPS