FL7AACGL0077

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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	117894-46-9,124088-76-2,110202-92-1
KEGG	{{{KEGG}}}
KNApSAcK	C00006853
CDX file
MOL file	FL7AACGL0077.mol

Cyanidin 3- (6"-ferulyl-2"'-sinapylsophoroside) -5-glucoside
Structural Information
Systematic Name	3',4',7-Trihydroxy-5- (beta-D-glucopyranosyloxy) -3- [ 6-O- [ 3- (3-methoxy-4-hydroxyphenyl) propenoyl ] -2-O- [ 2-O- [ 3- (4-hydroxy-3,5-dimethoxyphenyl) propenoyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyloxy ] anthocyanidin
Common Name	Cyanidin 3- (6"-ferulyl-2"'-sinapylsophoroside) -5-glucoside 3',4',7-Trihydroxy-5- (beta-D-glucopyranosyloxy) -3- [ 6-O- [ 3- (3-methoxy-4-hydroxyphenyl) propenoyl ] -2-O- [ 2-O- [ 3- (4-hydroxy-3,5-dimethoxyphenyl) propenoyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyloxy ] anthocyanidin
Symbol
Formula	C54H59O28
Exact Mass	1155.3192863040001
Average Mass	1156.0294600000002
SMILES	Oc(c8)c(cc(c8)c(c3O[C@H]([C@@H]5O[C@H](O6)[C@@H](OC(=O)C=Cc(c7)cc(c(c(OC)7)O)OC)[C@H]([C@@H](O)C6CO)O)OC([C@H]([C@@H](O)5)O)COC(=O)C=Cc(c4)cc(c(c4)O)OC)[o+1]c(c2)c(c3)c(cc2O)O[C@@H]([C@H]1O)OC(CO)[C@@H]([C@@H]1O)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 Brassica oleracea FL7AACGL0077 See above. Idaka_E et al. 1987