FL7AACGL0129

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	462122-48-1
KEGG	{{{KEGG}}}
KNApSAcK	[3]
CDX file
MOL file	FL7AACGL0129.mol

Anemone purple anthocyanin 1
Structural Information
Systematic Name	3- [ [6-O- [3- [ (1R,2R) -1,2-Dicarboxy-2-hydroxyethoxy] -1,3-dioxopropyl] -2-O- [2-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl] -beta-D-glucopyranosyl] -beta-D-galactopyranosyl] oxy] -7- [ [6-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl] -beta-D-glucopyranosyl] oxy] -2- [3- (beta-D-glucopyranuronosyloxy) -4-hydroxyphenyl] -5-hydroxy-1-benzopyrylium
Common Name	Anemone purple anthocyanin 1 APA-1 2- [3- (beta-D-Glucopyranuronosyloxy) -4-hydroxyphenyl] -7- [6-O- [3- (3,4-dihydroxyphenyl) propenoyl] -beta-D-glucopyranosyloxy] -3- [2-O- [2-O- [3- (3,4-dihydroxyphenyl) propenoyl] -beta-D-glucopyranosyl] -6-O- [3- (1-carboxy-2,3-dihydroxy-3-oxopropoxy) -1,3-dioxopropyl] -beta-D-galactopyranosyloxy] -5-hydroxy-1-benzopyrylium
Symbol
Formula	C64H67O41
Exact Mass	1491.315776646
Average Mass	1492.19218
SMILES	C(=Cc(c9)ccc(c9O)O)C(OC(C1O)C(OC(C2Oc(c6c(c7)ccc(c7OC(C(O)8)OC(C(O)=O)C(C(O)8)O)O)cc(c5[o+1]6)c(O)cc(c5)OC(O3)C(C(C(O)C(COC(=O)C=Cc(c4)cc(O)c(c4)O)3)O)O)C(C(O)C(COC(CC(=O)OC(C(O)C(O)=O)C(O)=O)=O)O2)O)OC(C1O)CO)=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 Anemone coronaria FL7AACGL0129 See above. Toki_K et al. 2003