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CHEBI:75795 - kaempferol 4'-O-β-D-glucopyranoside

ChEBI IDCHEBI:75795
ChEBI Namekaempferol 4'-O-β-D-glucopyranoside
Stars
ASCII Namekaempferol 4'-O-beta-D-glucopyranoside
DefinitionA kaempferol O-glucoside that is kaempferol attached to a β-D-glucopyranosyl moiety at position 4' via a glycosidic linkage.
Last Modified26 September 2016
Submittermwilliams
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESO=c1c(O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)oc2cc(O)cc(O)c12
InChIInChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-3-1-8(2-4-10)20-18(28)16(26)14-11(24)5-9(23)6-12(14)31-20/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1
InChIKeyAUCGRWHWAGXNQS-HMGRVEAOSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
kaempferol 4'-O-β-D-glucopyranoside (CHEBI:75795) has role plant metabolite (CHEBI:76924)
kaempferol 4'-O-β-D-glucopyranoside (CHEBI:75795) is a flavonols (CHEBI:28802)
kaempferol 4'-O-β-D-glucopyranoside (CHEBI:75795) is a kaempferol O-glucoside (CHEBI:64634)
kaempferol 4'-O-β-D-glucopyranoside (CHEBI:75795) is a monosaccharide derivative (CHEBI:63367)
kaempferol 4'-O-β-D-glucopyranoside (CHEBI:75795) is a trihydroxyflavone (CHEBI:27116)
kaempferol 4'-O-β-D-glucopyranoside (CHEBI:75795) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glucopyranoside
Registry NumbersSources
Reaxys:14710145Reaxys
Citations