FL7AAAGL0049

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	-
KEGG	{{{KEGG}}}
KNApSAcK	C00006788
CDX file
MOL file	FL7AAAGL0049.mol

Pelargonidin 3- [ 6"'- (3-glucosylcaffeyl) sophoroside ] -5-glucoside
Structural Information
Systematic Name	2- (4-Hydroxyphenyl) -5- (beta-D-glucopyranosyloxy) -7-hydroxy-3- [ 2-O- [ 6-O- [ (E) -3- [ 4-hydroxy-3- (beta-D-glucopyranosyloxy) phenyl ] acryloyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyloxy ] -1-benzopyrylium
Common Name	Pelargonidin 3- [ 6"'- (3-glucosylcaffeyl) sophoroside ] -5-glucoside 2- (4-Hydroxyphenyl) -5- (beta-D-glucopyranosyloxy) -7-hydroxy-3- [ 2-O- [ 6-O- [ (E) -3- [ 4-hydroxy-3- (beta-D-glucopyranosyloxy) phenyl ] acryloyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyloxy ] -1-benzopyrylium
Symbol
Formula	C48H57O28
Exact Mass	1081.30363624
Average Mass	1081.94938
SMILES	OC(C8O)C(OC(C(O)8)OC(C3O)C(Oc(c7)c([o+1]c(c75)cc(O)cc5OC(C(O)6)OC(C(O)C6O)CO)c(c4)ccc(c4)O)OC(C3O)CO)COC(=O)C=Cc(c1)ccc(c1OC(O2)C(C(C(O)C2CO)O)O)O
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 Ipomoea nil FL7AAAGL0049 See above. Lu_TS et al. 1992