FL7AAAGL0043

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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	175738-03-1
KEGG	{{{KEGG}}}
KNApSAcK	C00006782
CDX file
MOL file	FL7AAAGL0043.mol

Pelargonidin 3- (6"-p-coumaryl-2"'-sinapylsambubioside) -5-glucoside
Structural Information
Systematic Name	7-Hydroxy-2- (4-hydroxyphenyl) -5- [ beta-D-glucopyranosyloxy ] -3- [ 6-O- [ (E) -3- (4-hydroxyphenyl) 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"-p-coumaryl-2"'-sinapylsambubioside) -5-glucoside 7-Hydroxy-2- (4-hydroxyphenyl) -5- [ beta-D-glucopyranosyloxy ] -3- [ 6-O- [ (E) -3- (4-hydroxyphenyl) propenoyl ] -2-O- [ 2-O- [ (E) -3- (3,5-dimethoxy-4-hydroxyphenyl) propenoyl ] -beta-D-xylopyranosyl ] -beta-D-glucopyranosyloxy ] -1-benzopyrylium
Symbol
Formula	C52H55O25
Exact Mass	1079.3032423099999
Average Mass	1079.9780999999998
SMILES	c(c8)c(ccc8O)C=CC(OCC(C(O)5)OC(C(OC(O7)C(C(O)C(C7)O)OC(=O)C=Cc(c6)cc(c(O)c6OC)OC)C5O)Oc(c4)c([o+1]c(c42)cc(O)cc2OC(C3O)OC(CO)C(C(O)3)O)c(c1)ccc(c1)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 FL7AAAGL0043 See above. Saito_N et al. 1996