FL7AAAGL0055

Flavonoid Top

Molecule Index

Author Index

Journals

Structure Search

Food

New Input

Upper classes : FL Flavonoid : FL7 Anthocyani(di)n : FL7A Anthocyani(di)n :  FL7AAA Pelargonidin (96 pages) :  FL7AAAGL Anthocyanin (3-Glucoside related) (75 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	185027-89-8
KEGG	{{{KEGG}}}
KNApSAcK	C00014025
CDX file
MOL file	FL7AAAGL0055.mol

Pelargonidin 3- (2- (6-ferulylglucosyl) -6-ferulylglucoside) -5-glucoside
Structural Information
Systematic Name	3,5,7,4'-Tetrahydroxyflavylium 3- (2- (6-ferulylglucosyl) -6-ferulylglucoside) -5-glucoside
Common Name	Pelargonidin 3- (2- (6-ferulylglucosyl) -6-ferulylglucoside) -5-glucoside Pelargonidin 3-O- [ 2-O- (6- (E) -feruloyl-beta-D-glucopyranosyl) -6-O- (E) -feruloyl-beta-D-glucopyranoside ] -5-O- (beta-D-glucopyranoside) 3,5,7,4'-Tetrahydroxyflavylium 3- (2- (6-ferulylglucosyl) -6-ferulylglucoside) -5-glucoside
Symbol
Formula	C53H57O26
Exact Mass	1109.313806996
Average Mass	1110.00408
SMILES	c(c1)(ccc(c([o+1]4)c(OC(O5)C(OC(C7O)OC(COC(=O)C=Cc(c8)cc(c(O)c8)OC)C(O)C7O)C(C(C(COC(=O)C=Cc(c6)ccc(O)c(OC)6)5)O)O)cc(c24)c(OC(C3O)OC(C(C(O)3)O)CO)cc(c2)O)c1)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 Raphanus sativus FL7AAAGL0055 See above. Otsuki_T et al. 2002