CHEBI:75721 - kaempferol 3-O-glucuronide

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ChEBI Name kaempferol 3-O-glucuronide
ChEBI ID CHEBI:75721
ChEBI ASCII Name kaempferol 3-O-glucuronide
Definition A kaempferol O-glucuronide that is kaempferol with a β-D-glucosiduronic acid residue attached at the 3-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H18O12
Net Charge 0
Average Mass 462.36040
Monoisotopic Mass 462.07983
InChI InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1
InChIKey FNTJVYCFNVUBOL-ZUGPOPFOSA-N
SMILES O[C@H]1[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing kaempferol 3-O-glucuronide (CHEBI:75721) has role metabolite (CHEBI:25212)
kaempferol 3-O-glucuronide (CHEBI:75721) is a kaempferol O-glucuronide (CHEBI:75720)
kaempferol 3-O-glucuronide (CHEBI:75721) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glucopyranosiduronic acid
Synonyms Sources
Kaempferol 3-glucuronide LIPID MAPS
kaempferol 3-O-β-D-glucopyranosiduronic acid ChEBI
kaempferol 3-O-β-D-glucoronopyranoside ChEBI
Manual Xref Database
LMPK12111843 LIPID MAPS
View more database links
Registry Number Type Source
1277549 Reaxys Registry Number Reaxys
Last Modified
23 October 2015