kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside (CHEBI:31744)

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

ChEBI ID	CHEBI:31744
ChEBI Name	kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside
Stars
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.
Last Modified	28 July 2014
Downloads	Molfile

Formula	C33H40O21
Net Charge	0
Average Mass	772.662
Monoisotopic Mass	772.20621
SMILES	O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
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

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-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

Registry Numbers	Sources
Reaxys:7406268	Reaxys
CAS:80714-53-0	KEGG COMPOUND

Citations