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:

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.

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
C12635	KEGG COMPOUND
LMPK12111744	LIPID MAPS
HMDB0032008	HMDB
C00005208	KNApSAcK

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

Citations