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CHEBI:31741 - kaempferol 3-O-[6-(4-coumaroyl)-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside]

ChEBI IDCHEBI:31741
ChEBI Namekaempferol 3-O-[6-(4-coumaroyl)-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside]
Stars
ASCII Namekaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]
DefinitionA trihydroxyflavone that is kaempferol substituted at position 3 by a 6-(4-coumaroyl)-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucosyl moiety via a glycosidic linkage.
Last Modified4 February 2013
DownloadsMolfile
FormulaC42H46O23
Net Charge0
Average Mass918.807
Monoisotopic Mass918.24299
SMILESO=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)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
InChIInChI=1S/C42H46O23/c43-13-23-29(51)34(56)39(41(60-23)63-37-31(53)27-21(48)11-20(47)12-22(27)59-36(37)17-4-8-19(46)9-5-17)65-42-38(33(55)28(50)24(14-44)61-42)64-40-35(57)32(54)30(52)25(62-40)15-58-26(49)10-3-16-1-6-18(45)7-2-16/h1-12,23-25,28-30,32-35,38-48,50-52,54-57H,13-15H2/b10-3+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38-,39-,40+,41+,42+/m1/s1
InChIKeyLFLDSGWMOQHQIG-WRICPQPISA-N
ChEBI Ontology
Outgoing Relation(s)
kaempferol 3-O-[6-(4-coumaroyl)-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside] (CHEBI:31741) has functional parent trans-4-coumaric acid (CHEBI:32374)
kaempferol 3-O-[6-(4-coumaroyl)-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside] (CHEBI:31741) has functional parent kaempferol (CHEBI:28499)
kaempferol 3-O-[6-(4-coumaroyl)-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside] (CHEBI:31741) is a cinnamate ester (CHEBI:36087)
kaempferol 3-O-[6-(4-coumaroyl)-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside] (CHEBI:31741) is a flavonol 3-O-[6-(4-coumaroyl)-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside]s (CHEBI:52268)
kaempferol 3-O-[6-(4-coumaroyl)-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside] (CHEBI:31741) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside
Synonym  Source
Kaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]KEGG COMPOUND
Manual XrefsDatabases
C12636KEGG COMPOUND
Registry NumbersSources
Reaxys:9037372Reaxys
CAS:370883-67-3KEGG COMPOUND