FL7AACGL0072

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Upper classes : FL Flavonoid : FL7 Anthocyani(di)n : FL7A Anthocyani(di)n :  FL7AAC Cyanidin (170 pages) :  FL7AACGL Anthocyanin (3-Glucoside related) (132 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	107500-83-4
KEGG	{{{KEGG}}}
KNApSAcK	C00006848
CDX file
MOL file	FL7AACGL0072.mol

Cyanidin 3- [ 6"- (4-glucosylferulyl) -sophoroside ] -5-glucoside
Structural Information
Systematic Name	3,5,7,3',4'-Pentahydroxyflavylium 3- [ 6"- (4-glucosylferulyl) -sophoroside ] -5-glucoside
Common Name	Cyanidin 3- [ 6"- (4-glucosylferulyl) -sophoroside ] -5-glucoside 3,5,7,3',4'-Pentahydroxyflavylium 3- [ 6"- (4-glucosylferulyl) -sophoroside ] -5-glucoside
Symbol
Formula	C49H59O29
Exact Mass	1111.314200926
Average Mass	1111.9753600000001
SMILES	O[C@@H]([C@H]1O)[C@H](Oc(c8OC)ccc(c8)C=CC(=O)OCC([C@H]3O)O[C@H](Oc(c7)c([o+1]c(c75)cc(O)cc5O[C@@H]([C@@H](O)6)OC([C@@H]([C@@H]6O)O)CO)c(c4)cc(c(O)c4)O)[C@@H]([C@@H]3O)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)OC([C@H](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 FL7AACGL0072 See above. Idaka_E et al. 1987