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CHEBI:75791 - kaempferol 3-O-β-L-glucopyranoside

ChEBI IDCHEBI:75791
ChEBI Namekaempferol 3-O-β-L-glucopyranoside
Stars
ASCII Namekaempferol 3-O-beta-L-glucopyranoside
DefinitionA kaempferol O-glucoside that is kaempferol attached to a β-L-glucopyranosyl moiety at position 3 via a glycosidic linkage.
Last Modified28 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESO=c1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
InChIInChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m0/s1
InChIKeyJPUKWEQWGBDDQB-LQSBFMDOSA-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 3-O-β-L-glucopyranoside (CHEBI:75791) has functional parent β-L-glucose (CHEBI:37631)
kaempferol 3-O-β-L-glucopyranoside (CHEBI:75791) has role metabolite (CHEBI:25212)
kaempferol 3-O-β-L-glucopyranoside (CHEBI:75791) is a flavonols (CHEBI:28802)
kaempferol 3-O-β-L-glucopyranoside (CHEBI:75791) is a kaempferol O-glucoside (CHEBI:64634)
kaempferol 3-O-β-L-glucopyranoside (CHEBI:75791) is a monosaccharide derivative (CHEBI:63367)
kaempferol 3-O-β-L-glucopyranoside (CHEBI:75791) is a trihydroxyflavone (CHEBI:27116)
kaempferol 3-O-β-L-glucopyranoside (CHEBI:75791) is a β-L-glucoside (CHEBI:75759)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-L-glucopyranoside
Registry NumbersSources
Reaxys:1359980Reaxys