FL5FAAGS0138

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	220342-45-0
KEGG	{{{KEGG}}}
KNApSAcK	C00013805
CDX file
MOL file	FL5FAAGS0138.mol

Kaempferol 3- (2"'- (E) -caffeoylglucosyl) - (1->2) -glucoside-7-cellobioside
Structural Information
Systematic Name	3- [ [ 2-O- [ 2-O- [ (2E) -3- (3,4-Dihydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyl ] oxy ] -7- [ (4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) oxy ] -5-hydroxy-2- (4-hydroxyphenyl) -4H-1-benzopyran-4-one
Common Name	Kaempferol 3- (2"'- (E) -caffeoylglucosyl) - (1->2) -glucoside-7-cellobioside 3- [ [ 2-O- [ 2-O- [ (2E) -3- (3,4-Dihydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyl ] oxy ] -7- [ (4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) oxy ] -5-hydroxy-2- (4-hydroxyphenyl) -4H-1-benzopyran-4-one
Symbol
Formula	C48H56O29
Exact Mass	1096.29072583
Average Mass	1096.94084
SMILES	C(O)(C(O)2)C(C(OC2Oc(c8)cc(O)c(c83)C(C(OC(C(OC(C6OC(=O)C=Cc(c7)ccc(c7O)O)OC(C(C6O)O)CO)5)OC(CO)C(C(O)5)O)=C(c(c4)ccc(c4)O)O3)=O)CO)OC(C1O)OC(C(O)C(O)1)CO
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Brassica oleracea FL5FAAGS0138 See above. Nielsen_JK et al. 1998