FL7AACGL0078

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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	110202-93-2
KEGG	{{{KEGG}}}
KNApSAcK	C00006854
CDX file
MOL file	FL7AACGL0078.mol

Cyanidin 3- (6",6"'-disinapylsophoroside) -5-glucoside
Structural Information
Systematic Name	3',4',7-Trihydroxy-5- (beta-D-glucopyranosyloxy) -3- [ 6-O- [ 3- (4-hydroxy-3,5-dimethoxyphenyl) propenoyl ] -2-O- [ 2-O- [ 3- (4-hydroxy-3,5-dimethoxyphenyl) propenoyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyloxy ] anthocyanidin
Common Name	Cyanidin 3- (6",6"'-disinapylsophoroside) -5-glucoside 3',4',7-Trihydroxy-5- (beta-D-glucopyranosyloxy) -3- [ 6-O- [ 3- (4-hydroxy-3,5-dimethoxyphenyl) propenoyl ] -2-O- [ 2-O- [ 3- (4-hydroxy-3,5-dimethoxyphenyl) propenoyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyloxy ] anthocyanidin
Symbol
Formula	C55H61O29
Exact Mass	1185.32985099
Average Mass	1186.0554399999999
SMILES	Oc(c(OC)1)c(OC)cc(C=CC(OC[C@@H](O4)[C@@H](C(C([C@H](Oc(c7)c(c(c8)ccc(O)c(O)8)[o+1]c(c57)cc(cc5O[C@H](O6)[C@@H](O)[C@@H](O)[C@H](C(CO)6)O)O)4)O[C@H]([C@H](O)2)OC(COC(=O)C=Cc(c3)cc(c(O)c3OC)OC)[C@H]([C@H]2O)O)O)O)=O)c1
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 FL7AACGL0078 See above. Hrazdina_G et al. 1977 Brassica oleracea FL7AACGL0078 See above. Idaka_E et al. 1987