FL7AAGGL0037

Flavonoid Top

Molecule Index

Author Index

Journals

Structure Search

Food

New Input

Upper classes : FL Flavonoid : FL7 Anthocyani(di)n : FL7A Anthocyani(di)n :  FL7AAG Delphinidin (107 pages) :  FL7AAGGL Anthocyanin (3-Glucoside related) (75 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	592522-40-2
KEGG	{{{KEGG}}}
KNApSAcK	C00011193
CDX file
MOL file	FL7AAGGL0037.mol

Delphinidin 3- (6"-O-4-malyl-glucoside) -5- (6"'-O-1-malyl-glucoside)
Structural Information
Systematic Name	2- (3,4,5-Trihydroxyphenyl) -3- [ [ 6-O- (3,4-dihydroxy-1,4-dioxobutyl) -beta-D-glucopyranosyl ] oxy ] -5- [ [ 6-O- (2,4-dihydroxy-1,4-dioxobutyl) -beta-D-glucopyranosyl ] oxy ] -7-hydroxy-1-benzopyrylium
Common Name	Delphinidin 3- (6"-O-4-malyl-glucoside) -5- (6"'-O-1-malyl-glucoside) 2- (3,4,5-Trihydroxyphenyl) -3- [ [ 6-O- (3,4-dihydroxy-1,4-dioxobutyl) -beta-D-glucopyranosyl ] oxy ] -5- [ [ 6-O- (2,4-dihydroxy-1,4-dioxobutyl) -beta-D-glucopyranosyl ] oxy ] -7-hydroxy-1-benzopyrylium
Symbol
Formula	C35H39O25
Exact Mass	859.178041798
Average Mass	859.66916
SMILES	C(C(C(O)=O)O)C(=O)OCC(O1)C(C(C(C1Oc(c(c(c5)cc(O)c(c(O)5)O)4)cc(c3[o+1]4)c(cc(O)c3)OC(O2)C(O)C(O)C(O)C2COC(=O)C(CC(O)=O)O)O)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 Dianthus caryophyllus FL7AAGGL0037 See above. Fukui_Y et al. 2003