FL7AACGL0101

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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	756795-04-7
KEGG	{{{KEGG}}}
KNApSAcK	C00011110
CDX file
MOL file	FL7AACGL0101.mol

Cyanidin 3-O- [ 2-O- (6-O- (trans-3-O- (beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranosyl) -6-O- (trans-4-O- (6-O- (trans-caffeyl) -beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranoside ] -5-O- [ beta-D-glucopyranoside ]
Structural Information
Systematic Name	3,5,7,3',4'-Pentahydroxyflavylium 3-O- [ 2-O- (6-O- (trans-3-O- (beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranosyl) -6-O- (trans-4-O- (6-O- (trans-caffeyl) -beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranoside ] -5-O- [ beta-D-glucopyranoside ]
Common Name	Cyanidin 3-O- [ 2-O- (6-O- (trans-3-O- (beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranosyl) -6-O- (trans-4-O- (6-O- (trans-caffeyl) -beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranoside ] -5-O- [ beta-D-glucopyranoside ] 3,5,7,3',4'-Pentahydroxyflavylium 3-O- [ 2-O- (6-O- (trans-3-O- (beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranosyl) -6-O- (trans-4-O- (6-O- (trans-caffeyl) -beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranoside ] -5-O- [ beta-D-glucopyranoside ]
Symbol
Formula	C72H79O40
Exact Mass	1583.414762408
Average Mass	1584.37366
SMILES	c(O)(c(O)%11)cc(cc%11)c(c1O[C@@H]([C@H]4O[C@H](O8)C(O)C(O)[C@@H](O)[C@@H](COC(C=Cc(c%10)cc(c(O)c%10)O[C@H](O9)C(O)C([C@H]([C@@H](CO)9)O)O)=O)8)OC(COC(=O)C=Cc(c7)cc(c(c7)O[C@H](O5)[C@@H](O)[C@H]([C@H](C5COC(C=Cc(c6)ccc(O)c(O)6)=O)O)O)O)[C@@H]([C@@H]4O)O)[o+1]c(c2)c(c(O[C@H](O3)[C@H]([C@H]([C@@H](O)C3CO)O)O)cc2O)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 Ipomoea purpurea FL7AACGL0101 See above. Saito_N et al. 1995