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CHEBI:190407 - (-)-Epicatechin 7-O-glucuronide

ChEBI IDCHEBI:190407
ChEBI Name(-)-Epicatechin 7-O-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O12
Net Charge0
Average Mass466.395
Monoisotopic Mass466.11113
SMILESO=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=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
InChIKeyFDWDKTKDGDLDTP-BBGDWMAASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) MetaboLights (MTBLS4522) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
(-)-Epicatechin 7-O-glucuronide (CHEBI:190407) is a flavonoids (CHEBI:72544)
(-)-Epicatechin 7-O-glucuronide (CHEBI:190407) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0041729HMDB
30777622ChemSpider
Registry NumbersSources
CAS:389136-63-4ChemIDplus