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CHEBI:75796 - kaempferol 3-O-β-D-allopyranoside

Default Structure
ChEBI IDCHEBI:75796
ChEBI Namekaempferol 3-O-β-D-allopyranoside
Stars
ASCII Namekaempferol 3-O-beta-D-allopyranoside
DefinitionA glycosyloxyflavone that is kaempferol attached to a β-D-allopyranosyl moiety at position 3 via a glycosidic linkage.
Last Modified27 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+/m1/s1
InChIKeyJPUKWEQWGBDDQB-IDRAQACASA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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-allopyranoside (CHEBI:75796) has functional parent kaempferol (CHEBI:28499)
kaempferol 3-O-β-D-allopyranoside (CHEBI:75796) has functional parent β-D-allose (CHEBI:40656)
kaempferol 3-O-β-D-allopyranoside (CHEBI:75796) has role metabolite (CHEBI:25212)
kaempferol 3-O-β-D-allopyranoside (CHEBI:75796) has role plant metabolite (CHEBI:76924)
kaempferol 3-O-β-D-allopyranoside (CHEBI:75796) is a glycosyloxyflavone (CHEBI:50018)
kaempferol 3-O-β-D-allopyranoside (CHEBI:75796) is a monosaccharide derivative (CHEBI:63367)
kaempferol 3-O-β-D-allopyranoside (CHEBI:75796) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-allopyranoside
Synonym  Source
asiaticalinChEBI
Registry NumbersSources
Reaxys:1359974Reaxys