FL7AAGGL0030

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	250344-52-6
KEGG	{{{KEGG}}}
KNApSAcK	C00011082
CDX file
MOL file	FL7AAGGL0030.mol

Acetylmalonylawobanin
Structural Information
Systematic Name	2- (3,4,5-Trihydroxyphenyl) -3- [ [ 6-O- (4-hydroxycinnamoyl) -beta-D-glucopyranosyl ] oxy ] -5- [ [ 6-O- (3-hydroxy-1,3-dioxopropyl) -4-O-acetyl-beta-D-glucopyranosyl ] oxy ] -7-hydroxy-1-benzopyrylium
Common Name	Acetylmalonylawobanin Delphinidin 3-O- [ 6-O- (p-coumaroyl) -beta-D-glucopyranoside ] -5-O- [ 4-O-acetyl-6-O-malonyl-beta-D-glucopyranoside ] 2- (3,4,5-Trihydroxyphenyl) -3- [ [ 6-O- (4-hydroxycinnamoyl) -beta-D-glucopyranosyl ] oxy ] -5- [ [ 6-O- (3-hydroxy-1,3-dioxopropyl) -4-O-acetyl-beta-D-glucopyranosyl ] oxy ] -7-hydroxy-1-benzopyrylium
Symbol
Formula	C41H41O23
Exact Mass	901.203862618
Average Mass	901.75044
SMILES	Oc(c5)cc(O[C@@H]([C@H]6O)OC(COC(=O)CC(O)=O)[C@H](OC(C)=O)[C@H](O)6)c(c25)cc(O[C@H](O3)C(O)C([C@H]([C@H]3COC(=O)C=Cc(c4)ccc(O)c4)O)O)c([o+1]2)c(c1)cc(O)c(O)c(O)1
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 Salvia uliginosa FL7AAGGL0030 See above. Ishikawa_T et al. 1999