FL7AAIGL0026

Flavonoid Top

Molecule Index

Author Index

Journals

Structure Search

Food

New Input

Upper classes : FL Flavonoid : FL7 Anthocyani(di)n : FL7A Anthocyani(di)n :  FL7AAI Malvidin (52 pages) :  FL7AAIGL Anthocyanin (3-Glucoside related) (40 pages) :  FL7AAIGL0 Normal (38 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	210050-03-6
KEGG	{{{KEGG}}}
KNApSAcK	C00011075
CDX file
MOL file	FL7AAIGL0026.mol

Malvidin 3-O- [ 6-O- [ 4-O- [ 4-O- (6-O-caffeoyl-beta-D-glucopyranosyl) caffeoyl ] -alpha-L-rhamnosyl ] -beta-D-glucopyranoside ] -5-O-beta-D-glucopyranoside
Structural Information
Systematic Name	3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavylium 3-O- [ 6-O- [ 4-O- [ 4-O- (6-O-caffeoyl-beta-D-glucopyranosyl) caffeoyl ] -alpha-L-rhamnosyl ] -beta-D-glucopyranoside ] -5-O-beta-D-glucopyranoside
Common Name	Malvidin 3-O- [ 6-O- [ 4-O- [ 4-O- (6-O-caffeoyl-beta-D-glucopyranosyl) caffeoyl ] -alpha-L-rhamnosyl ] -beta-D-glucopyranoside ] -5-O-beta-D-glucopyranoside 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavylium 3-O- [ 6-O- [ 4-O- [ 4-O- (6-O-caffeoyl-beta-D-glucopyranosyl) caffeoyl ] -alpha-L-rhamnosyl ] -beta-D-glucopyranoside ] -5-O-beta-D-glucopyranoside
Symbol
Formula	C59H67O32
Exact Mass	1287.3615450480002
Average Mass	1288.14408
SMILES	OC(C1OC(=O)C=Cc(c9)cc(O)c(c9)OC(O7)C(C(O)C(C7COC(=O)C=Cc(c8)ccc(c(O)8)O)O)O)C(C(OCC(C6O)OC(C(C6O)O)Oc(c(c(c5)cc(c(O)c5OC)OC)4)cc(c([o+1]4)3)c(cc(O)c3)OC(O2)C(O)C(O)C(C(CO)2)O)OC1C)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 Petunia hybrida cultivar FL7AAIGL0026 See above. Fukui_Y et al. 1998 Petunia guarapuavensis FL7AAIGL0026 See above. Tatsuzawa_F et al. 1997