CHEBI:31744 - kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside

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ChEBI Name kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside
ChEBI ID CHEBI:31744
ChEBI ASCII Name kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside
Definition A kaempferol O-glucoside that is kaempferol attached to a β-D-sophorotriosyl residue 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 C33H40O21
Net Charge 0
Average Mass 772.65810
Monoisotopic Mass 772.20621
InChI InChI=1S/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1
InChIKey MGAFCXOXRHSKIA-MEBVLIOMSA-N
SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](Oc4c(oc5cc(O)cc(O)c5c4=O)-c4ccc(O)cc4)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:31744) has role metabolite (CHEBI:25212)
kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:31744) has role plant metabolite (CHEBI:76924)
kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:31744) is a kaempferol O-glucoside (CHEBI:64634)
kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:31744) is a trihydroxyflavone (CHEBI:27116)
kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:31744) is a trisaccharide derivative (CHEBI:63571)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside
Synonym Source
Kaempferol 3-sophorotrioside KEGG COMPOUND
Manual Xrefs Databases
C00005208 KNApSAcK
C12635 KEGG COMPOUND
HMDB0032008 HMDB
LMPK12111744 LIPID MAPS
View more database links
Registry Numbers Types Sources
7406268 Reaxys Registry Number Reaxys
80714-53-0 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
11515568 PubMed citation Europe PMC
Last Modified
28 July 2014