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

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ChEBI Name kaempferol 3-O-β-D-allopyranoside
ChEBI ID CHEBI:75796
ChEBI ASCII Name kaempferol 3-O-beta-D-allopyranoside
Definition A glycosyloxyflavone that is kaempferol attached to a β-D-allopyranosyl moiety at position 3 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H20O11
Net Charge 0
Average Mass 448.37690
Monoisotopic Mass 448.10056
InChI InChI=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
InChIKey JPUKWEQWGBDDQB-IDRAQACASA-N
SMILES OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@@H]1O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 functional parent kaempferol (CHEBI:28499)
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
asiaticalin ChEBI
Registry Number Type Source
1359974 Reaxys Registry Number Reaxys
Last Modified
27 November 2013