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CHEBI:75723 - kaempferol 5-O-glucuronide

ChEBI IDCHEBI:75723
ChEBI Namekaempferol 5-O-glucuronide
Stars
ASCII Namekaempferol 5-O-glucuronide
DefinitionA kaempferol O-glucuronide that is kaempferol with a β-D-glucosiduronic acid residue attached at the 5-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)cc3oc(-c4ccc(O)cc4)c(O)c(=O)c23)[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(31-18)5-9(23)6-11(12)32-21-17(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
InChIKeyAESGYRCGOWUBNU-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 5-O-glucuronide (CHEBI:75723) has role metabolite (CHEBI:25212)
kaempferol 5-O-glucuronide (CHEBI:75723) is a kaempferol O-glucuronide (CHEBI:75720)
kaempferol 5-O-glucuronide (CHEBI:75723) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
3,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl β-D-glucopyranosiduronic acid
Synonyms  Source
Kaempferol 5-glucuronideLIPID MAPS
kaempferol 5-O-β-D-glucoronopyranosideChEBI
kaempferol 5-O-β-D-glucopyranosiduronic acidChEBI
Manual XrefsDatabases
LMPK12111905LIPID MAPS