FL7AAAGL0025

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	167774-88-1
KEGG	{{{KEGG}}}
KNApSAcK	C00006764
CDX file
MOL file	FL7AAAGL0025.mol

Pelargonidin 3-glucoside-5- (6"'-malonylglucoside)
Structural Information
Systematic Name	7-Hydroxy-2- (4-hydroxyphenyl) -3- (beta-D-glucopyranosyloxy) -5- [ [ 6-O- (3-hydroxy-1,3-dioxopropyl) -beta-D-glucopyranosyl ] oxy ] -1-benzopyrylium
Common Name	Pelargonidin 3-glucoside-5- (6"'-malonylglucoside) 7-Hydroxy-2- (4-hydroxyphenyl) -3- (beta-D-glucopyranosyloxy) -5- [ [ 6-O- (3-hydroxy-1,3-dioxopropyl) -beta-D-glucopyranosyl ] oxy ] -1-benzopyrylium
Symbol
Formula	C30H33O18
Exact Mass	681.166689252
Average Mass	681.57222
SMILES	c(c21)c(O[C@@H](C(O)5)O[C@@H]([C@@H](C5O)O)CO)c(c(c4)ccc(O)c4)[o+1]c1cc(cc(O[C@H](O3)[C@@H](O)[C@H]([C@@H](O)C3COC(CC(O)=O)=O)O)2)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 Hyacinthus orientalis FL7AAAGL0025 See above. Hosokawa_K et al. 1995