FL7AADGL0024

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	135618-32-5
KEGG	{{{KEGG}}}
KNApSAcK	C00006872
CDX file
MOL file	FL7AADGL0024.mol

Peonidin 3-[6"-(4-glucosylcaffeyl)sophoroside]-5-glucoside
Structural Information
Systematic Name	3,5,7,4'-Tetrahydroxy-3'-methoxyflavylium 3-[6"-(4-glucosylcaffeyl)sophoroside]-5-glucoside
Common Name	Peonidin 3-[6"-(4-glucosylcaffeyl)sophoroside]-5-glucoside
Symbol
Formula	C49H59O29
Exact Mass	1111.314200926
Average Mass	1111.9753600000001
SMILES	c([o+1]4)(c(O[C@H](O6)C(C([C@@H](O)[C@@H](COC(C=Cc(c8)ccc(c8O)O[C@@H]([C@H]7O)OC(CO)[C@@H]([C@@H]7O)O)=O)6)O)O[C@@H](O5)[C@H](O)[C@@H]([C@@H](C5CO)O)O)cc(c42)c(O[C@@H]([C@@H](O)3)OC([C@H](O)[C@H](O)3)CO)cc(O)c2)c(c1)cc(OC)c(O)c1
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 FL7AADGL0024 See above. Lu_TS et al. 1991