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CHEBI:75797 - kaempferol 3-O-α-L-glucopyranoside

ChEBI IDCHEBI:75797
ChEBI Namekaempferol 3-O-α-L-glucopyranoside
Stars
ASCII Namekaempferol 3-O-alpha-L-glucopyranoside
DefinitionA kaempferol O-glucoside that is kaempferol attached to an α-L-glucopyranosyl moiety at position 3 via a glycosidic linkage.
Last Modified9 January 2014
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-YSBXYMAXSA-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 3-O-α-L-glucopyranoside (CHEBI:75797) has functional parent α-L-glucose (CHEBI:37630)
kaempferol 3-O-α-L-glucopyranoside (CHEBI:75797) has role plant metabolite (CHEBI:76924)
kaempferol 3-O-α-L-glucopyranoside (CHEBI:75797) is a kaempferol O-glucoside (CHEBI:64634)
kaempferol 3-O-α-L-glucopyranoside (CHEBI:75797) is a monosaccharide derivative (CHEBI:63367)
kaempferol 3-O-α-L-glucopyranoside (CHEBI:75797) is a trihydroxyflavone (CHEBI:27116)
kaempferol 3-O-α-L-glucopyranoside (CHEBI:75797) is a α-L-glucoside (CHEBI:71351)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl α-L-glucopyranoside
Synonym  Source
astragolinChEBI
Registry NumbersSources
Reaxys:1359977Reaxys