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CHEBI:149588 - catechin 5-glucuronide

ChEBI IDCHEBI:149588
ChEBI Namecatechin 5-glucuronide
Stars
Submittermwilliams
DownloadsMolfile
FormulaC21H22O12
Net Charge0
Average Mass466.395
Monoisotopic Mass466.11113
SMILESO=C(O)[C@H]1O[C@@H](Oc2cc(O)cc3c2C[C@@H](O)[C@H](c2ccc(O)c(O)c2)O3)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H22O12/c22-8-4-13-9(6-12(25)18(31-13)7-1-2-10(23)11(24)3-7)14(5-8)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
InChIKeyKGLMKAPOVXBIJB-AKIQRXPNSA-N
ChEBI Ontology
Outgoing Relation(s)
catechin 5-glucuronide (CHEBI:149588) has functional parent (−)-catechin (CHEBI:33992)
catechin 5-glucuronide (CHEBI:149588) is a hydroxyflavonoid (CHEBI:71968)
catechin 5-glucuronide (CHEBI:149588) is a β-D-glucosiduronic acid (CHEBI:15341)
Manual XrefsDatabases
HMDB0240488HMDB