FL7AAAGL0048

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	140614-88-6
KEGG	{{{KEGG}}}
KNApSAcK	C00006787
CDX file
MOL file	FL7AAAGL0048.mol

Pelargonidin 3- (6"-caffeylsophoroside) -5-glucoside
Structural Information
Systematic Name	3,5,7,4'-Tetrahydroxyflavylium 3-O- (6-O- (trans-caffeyl) -2-O- (beta-D-glucopyranosyl) -beta-D-glucopyranoside) -5-O- (beta-D-glucopyranoside)
Common Name	Pelargonidin 3- (6"-caffeylsophoroside) -5-glucoside Pelargonidin 3-O- (6-O- (trans-caffeyl) -2-O- (beta-D-glucopyranosyl) -beta-D-glucopyranoside) -5-O- (beta-D-glucopyranoside) 3,5,7,4'-Tetrahydroxyflavylium 3-O- (6-O- (trans-caffeyl) -2-O- (beta-D-glucopyranosyl) -beta-D-glucopyranoside) -5-O- (beta-D-glucopyranoside)
Symbol
Formula	C42H47O23
Exact Mass	919.25081281
Average Mass	919.8087800000001
SMILES	C(C(C3O)OC(Oc(c5c(c7)ccc(O)c7)cc(c(OC(C6O)OC(CO)C(C6O)O)4)c([o+1]5)cc(O)c4)C(C(O)3)OC(O2)C(O)C(O)C(C2CO)O)OC(=O)C=Cc(c1)ccc(c1O)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 Ipomoea nil FL7AAAGL0048 See above. Lu_TS et al. 1992 Raphanus sativus FL7AAAGL0048 See above. Otsuki_T et al. 2002