FL7AAAGL0046

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	175737-97-0
KEGG	{{{KEGG}}}
KNApSAcK	C00006785
CDX file
MOL file	FL7AAAGL0046.mol

Pelargonidin 3- (6",2"'-diferulylsambubioside) -5- (6-malonylglucoside)
Structural Information
Systematic Name	Pelargonidin 3- (6",2"'-diferulylsambubioside) -5- (6-malonylglucoside)
Common Name	Pelargonidin 3- (6",2"'-diferulylsambubioside) -5- (6-malonylglucoside)
Symbol
Formula	C55H57O28
Exact Mass	1165.30363624
Average Mass	1166.02428
SMILES	c(c8)(ccc(O)c8)c(c3OC(C5OC(O6)C(OC(=O)C=Cc(c7)cc(OC)c(c7)O)C(O)C(C6)O)OC(C(C5O)O)COC(C=Cc(c4)ccc(O)c4OC)=O)[o+1]c(c(c3)1)cc(cc(OC(O2)C(C(O)C(C(COC(CC(O)=O)=O)2)O)O)1)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 Matthiola incana FL7AAAGL0046 See above. Saito_N et al. 1996