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CHEBI:75805 - kaempferol 5-O-β-L-glucopyranoside

ChEBI IDCHEBI:75805
ChEBI Namekaempferol 5-O-β-L-glucopyranoside
Stars
ASCII Namekaempferol 5-O-beta-L-glucopyranoside
DefinitionA kaempferol O-glucoside that is kaempferol attached to a β-L-glucopyranosyl moiety at position 5 via a glycosidic linkage.
Last Modified28 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESO=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c12
InChIInChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)31-12-6-10(24)5-11-14(12)16(26)18(28)20(30-11)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m0/s1
InChIKeyZSDLSQASILNAAH-YGXKTJSJSA-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-β-L-glucopyranoside (CHEBI:75805) has functional parent β-L-glucose (CHEBI:37631)
kaempferol 5-O-β-L-glucopyranoside (CHEBI:75805) has role metabolite (CHEBI:25212)
kaempferol 5-O-β-L-glucopyranoside (CHEBI:75805) is a flavonols (CHEBI:28802)
kaempferol 5-O-β-L-glucopyranoside (CHEBI:75805) is a kaempferol O-glucoside (CHEBI:64634)
kaempferol 5-O-β-L-glucopyranoside (CHEBI:75805) is a monosaccharide derivative (CHEBI:63367)
kaempferol 5-O-β-L-glucopyranoside (CHEBI:75805) is a trihydroxyflavone (CHEBI:27116)
kaempferol 5-O-β-L-glucopyranoside (CHEBI:75805) is a β-L-glucoside (CHEBI:75759)
IUPAC Name 
3,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl β-L-glucopyranoside
Registry NumbersSources
Reaxys:1336740Reaxys