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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (-)-Epicatechin 7-O-glucuronide
ChEBI ID CHEBI:190407
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O12
Net Charge 0
Average Mass 466.395
Monoisotopic Mass 466.11113
InChI 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
InChIKey FDWDKTKDGDLDTP-BBGDWMAASA-N
SMILES O1[C@@H](OC=2C=C3O[C@@H]([C@H](O)CC3=C(O)C2)C4=CC(O)=C(O)C=C4)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in liver (BTO:0000759). of strain C57BL/6J  [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing (-)-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 Xrefs Databases
30777622 ChemSpider
HMDB0041729 HMDB
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Registry Number Type Source
389136-63-4 CAS Registry Number ChemIDplus