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CHEBI:149599 - epicatechin-3'-glucuronide

ChEBI IDCHEBI:149599
ChEBI Nameepicatechin-3'-glucuronide
Stars
Submittermwilliams
DownloadsMolfile
FormulaC21H22O12
Net Charge0
Average Mass466.395
Monoisotopic Mass466.11113
SMILESO=C(O)[C@H]1O[C@@H](Oc2cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=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
InChIKeyBUONZQIZWIITTB-CVPXIJHMSA-N
ChEBI Ontology
Outgoing Relation(s)
epicatechin-3'-glucuronide (CHEBI:149599) has functional parent (−)-epicatechin (CHEBI:90)
epicatechin-3'-glucuronide (CHEBI:149599) is a flavonoids (CHEBI:72544)
epicatechin-3'-glucuronide (CHEBI:149599) is a β-D-glucosiduronic acid (CHEBI:15341)