FL7AACGL0100

Flavonoid Top

Molecule Index

Author Index

Journals

Structure Search

Food

New Input

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	651731-55-4
KEGG	{{{KEGG}}}
KNApSAcK	C00011109
CDX file
MOL file	FL7AACGL0100.mol

Cyanidin 3-O- [ 2-O- (6-O-E-coumaroyl-beta-D-glucopyanosyl) ] -{6-O- [ 4-O- (6-O-E-coumaroyl-beta-D-glucopyranosyl) -E-caffeoyl ] -beta-D-glucopyranosyl}-5-O-beta-D-glucopyranoside
Structural Information
Systematic Name	2- (3,4-Dihydroxyphenyl) -7-hydroxy-5- (beta-D-glucopyranosyloxy) -3- [ 2-O- [ 6-O- (4-hydroxycinnamoyl) -beta-D-glucopyranosyl ] -6-O- [ 3-hydroxy-4- [ 6-O- (4-hydroxycinnamoyl) -beta-D-glucopyranosyloxy ] cinnamoyl ] -beta-D-glucopyranosyloxy ] -1-benzopyrylium
Common Name	Cyanidin 3-O- [ 2-O- (6-O-E-coumaroyl-beta-D-glucopyanosyl) ] -{6-O- [ 4-O- (6-O-E-coumaroyl-beta-D-glucopyranosyl) -E-caffeoyl ] -beta-D-glucopyranosyl}-5-O-beta-D-glucopyranoside 2- (3,4-Dihydroxyphenyl) -7-hydroxy-5- (beta-D-glucopyranosyloxy) -3- [ 2-O- [ 6-O- (4-hydroxycinnamoyl) -beta-D-glucopyranosyl ] -6-O- [ 3-hydroxy-4- [ 6-O- (4-hydroxycinnamoyl) -beta-D-glucopyranosyloxy ] cinnamoyl ] -beta-D-glucopyranosyloxy ] -1-benzopyrylium
Symbol
Formula	C66H69O33
Exact Mass	1389.3721097339999
Average Mass	1390.23426
SMILES	C(O1)(C(O)C(C(O)C1Oc(c92)cc(O)cc2[o+1]c(c(c%10)ccc(c%10O)O)c(c9)OC(C(OC(C8O)OC(C(O)C8O)COC(C=Cc(c7)ccc(c7)O)=O)6)OC(C(O)C(O)6)COC(C=Cc(c5)cc(c(c5)OC(C3O)OC(COC(C=Cc(c4)ccc(c4)O)=O)C(C3O)O)O)=O)O)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 Ipomoea asarifolia FL7AACGL0100 See above. Pale_E et al. 2003