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CHEBI:75798 - kaempferol 3-O-β-D-glucofuranoside

ChEBI IDCHEBI:75798
ChEBI Namekaempferol 3-O-β-D-glucofuranoside
Stars
ASCII Namekaempferol 3-O-beta-D-glucofuranoside
DefinitionA kaempferol O-glucoside that is kaempferol attached to a β-D-glucofuranosyl moiety at position 3 via a glycosidic linkage.
Last Modified9 January 2014
Submittermwilliams
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILES[H][C@]1([C@H](O)CO)O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H20O11/c22-7-12(26)19-16(28)17(29)21(31-19)32-20-15(27)14-11(25)5-10(24)6-13(14)30-18(20)8-1-3-9(23)4-2-8/h1-6,12,16-17,19,21-26,28-29H,7H2/t12-,16-,17-,19-,21+/m1/s1
InChIKeyHOUHSBKVSRPPGO-GNPVFZCLSA-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-β-D-glucofuranoside (CHEBI:75798) has role plant metabolite (CHEBI:76924)
kaempferol 3-O-β-D-glucofuranoside (CHEBI:75798) is a kaempferol O-glucoside (CHEBI:64634)
kaempferol 3-O-β-D-glucofuranoside (CHEBI:75798) is a monosaccharide derivative (CHEBI:63367)
kaempferol 3-O-β-D-glucofuranoside (CHEBI:75798) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glucofuranoside
Registry NumbersSources
Reaxys:6882484Reaxys