FL7AAAGL0044

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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	175738-02-0
KEGG	{{{KEGG}}}
KNApSAcK	C00006783
CDX file
MOL file	FL7AAAGL0044.mol

Pelargonidin 3- (6"-ferulyl-2"'-sinapylsambubioside) -5-glucoside
Structural Information
Systematic Name	7-Hydroxy-2- (4-hydroxyphenyl) -5- [ beta-D-glucopyranosyloxy ] -3- [ 6-O- [ (E) -3- (4-hydroxy-3-methoxyphenyl) propenoyl ] -2-O- [ 2-O- [ (E) -3- (3,5-dimethoxy-4-hydroxyphenyl) propenoyl ] -beta-D-xylopyranosyl ] -beta-D-glucopyranosyloxy ] -1-benzopyrylium
Common Name	Pelargonidin 3- (6"-ferulyl-2"'-sinapylsambubioside) -5-glucoside 7-Hydroxy-2- (4-hydroxyphenyl) -5- [ beta-D-glucopyranosyloxy ] -3- [ 6-O- [ (E) -3- (4-hydroxy-3-methoxyphenyl) propenoyl ] -2-O- [ 2-O- [ (E) -3- (3,5-dimethoxy-4-hydroxyphenyl) propenoyl ] -beta-D-xylopyranosyl ] -beta-D-glucopyranosyloxy ] -1-benzopyrylium
Symbol
Formula	C53H57O26
Exact Mass	1109.313806996
Average Mass	1110.00408
SMILES	O(C(C(OC(C(OC(C=Cc(c8)cc(OC)c(O)c(OC)8)=O)7)OCC(C7O)O)5)OC(COC(C=Cc(c6)cc(OC)c(c6)O)=O)C(C(O)5)O)c(c2c(c4)ccc(O)c4)cc(c1OC(C3O)OC(C(O)C3O)CO)c([o+1]2)cc(c1)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 FL7AAAGL0044 See above. Saito_N et al. 1996