FL7AAAGL0047

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	175737-98-1
KEGG	{{{KEGG}}}
KNApSAcK	C00006786
CDX file
MOL file	FL7AAAGL0047.mol

Pelargonidin 3- (6"-ferulyl-2"'-sinapylsambubioside) -5- (6-malonylglucoside)
Structural Information
Systematic Name	Pelargonidin 3- (6"-ferulyl-2"'-sinapylsambubioside) -5- (6-malonylglucoside)
Common Name	Pelargonidin 3- (6"-ferulyl-2"'-sinapylsambubioside) -5- (6-malonylglucoside)
Symbol
Formula	C56H59O29
Exact Mass	1195.314200926
Average Mass	1196.05026
SMILES	C(OC(C=Cc(c8)cc(OC)c(O)c8OC)=O)(C1O)C(OC(C(O)6)C(OC(COC(=O)C=Cc(c7)cc(c(O)c7)OC)C(O)6)Oc(c3)c([o+1]c(c5)c3c(cc5O)OC(O4)C(C(C(C4COC(=O)CC(O)=O)O)O)O)c(c2)ccc(O)c2)OCC(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 Matthiola incana FL7AAAGL0047 See above. Saito_N et al. 1996