EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:75724 - kaempferol 7-O-glucuronide

ChEBI IDCHEBI:75724
ChEBI Namekaempferol 7-O-glucuronide
Stars
ASCII Namekaempferol 7-O-glucuronide
DefinitionA kaempferol O-glucuronide that is kaempferol with a β-D-glucosiduronic acid residue attached at the 7-position.
Last Modified25 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC21H18O12
Net Charge0
Average Mass462.363
Monoisotopic Mass462.07983
SMILESO=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)18-15(26)13(24)12-10(23)5-9(6-11(12)32-18)31-21-17(28)14(25)16(27)19(33-21)20(29)30/h1-6,14,16-17,19,21-23,25-28H,(H,29,30)/t14-,16-,17+,19-,21+/m0/s1
InChIKeyHKMMHEQNCQNUNN-JENRNSKYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
kaempferol 7-O-glucuronide (CHEBI:75724) has role metabolite (CHEBI:25212)
kaempferol 7-O-glucuronide (CHEBI:75724) is a kaempferol O-glucuronide (CHEBI:75720)
kaempferol 7-O-glucuronide (CHEBI:75724) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranosiduronic acid
Synonyms  Source
Kaempferol 7-glucuronideLIPID MAPS
kaempferol 7-O-β-D-glucoronopyranosideChEBI
kaempferol 7-O-β-D-glucopyranosiduronic acidChEBI
Manual XrefsDatabases
LMPK12111852LIPID MAPS
Registry NumbersSources
Reaxys:22440864Reaxys