CHEBI:149599 - epicatechin-3'-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-3'-glucuronide
ChEBI ID CHEBI:149599
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C21H22O12
Net Charge 0
Average Mass 466.395
Monoisotopic Mass 466.11113
InChI 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
InChIKey BUONZQIZWIITTB-CVPXIJHMSA-N
SMILES O1[C@@H](OC=2C=C([C@H]3OC=4C(C[C@H]3O)=C(O)C=C(O)C4)C=CC2O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
ChEBI Ontology
Outgoing epicatechin-3'-glucuronide (CHEBI:149599) has functional parent (−)-epicatechin (CHEBI:90)
epicatechin-3'-glucuronide (CHEBI:149599) is a β-D-glucosiduronic acid (CHEBI:15341)
epicatechin-3'-glucuronide (CHEBI:149599) is a flavonoids (CHEBI:72544)