FL7AAAGL0042

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	175738-00-8
KEGG	{{{KEGG}}}
KNApSAcK	C00006781
CDX file
MOL file	FL7AAAGL0042.mol

Pelargonidin 3- (6"-ferulylsambubioside) -5- (6"'-malonylglucoside)
Structural Information
Systematic Name	7-Hydroxy-2- (4-hydroxyphenyl) -5- [ 6-O- (3-hydroxy-3-oxopropanoyl) -beta-D-glucopyranosyloxy ] -3- [ 6-O- [ (E) -3- (4-hydroxy-3-methoxyphenyl) propenoyl ] -2-O- [ beta-D-xylopyranosyl ] -beta-D-glucopyranosyloxy ] -1-benzopyrylium
Common Name	Pelargonidin 3- (6"-ferulylsambubioside) -5- (6"'-malonylglucoside) 7-Hydroxy-2- (4-hydroxyphenyl) -5- [ 6-O- (3-hydroxy-3-oxopropanoyl) -beta-D-glucopyranosyloxy ] -3- [ 6-O- [ (E) -3- (4-hydroxy-3-methoxyphenyl) propenoyl ] -2-O- [ beta-D-xylopyranosyl ] -beta-D-glucopyranosyloxy ] -1-benzopyrylium
Symbol
Formula	C45H49O25
Exact Mass	989.2562921179999
Average Mass	989.85556
SMILES	OC(C(O)1)C(Oc(c7)c(c(cc(O)7)2)cc(OC(C5OC(C(O)6)OCC(O)C6O)OC(C(C5O)O)COC(C=Cc(c4)cc(c(c4)O)OC)=O)c(c(c3)ccc(O)c3)[o+1]2)OC(C1O)COC(=O)CC(O)=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 FL7AAAGL0042 See above. Saito_N et al. 1996