FL7AAAGL0045

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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	175737-99-2
KEGG	{{{KEGG}}}
KNApSAcK	C00006784
CDX file
MOL file	FL7AAAGL0045.mol

Pelargonidin 3- (6"-p-coumaryl-2"'-sinapyl-sambubioside) -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-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"'-sinapyl-sambubioside) -5- (6-malonylglucoside) 7-Hydroxy-2- (4-hydroxyphenyl) -5- [ 6-O- (3-hydroxy-3-oxopropanoyl) -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	C55H57O28
Exact Mass	1165.30363624
Average Mass	1166.02428
SMILES	O(C(O8)C(O)C(O)C(O)C(COC(=O)CC(O)=O)8)c(c13)cc(cc1[o+1]c(c(OC(C5OC(O6)C(OC(C=Cc(c7)cc(OC)c(c(OC)7)O)=O)C(C(O)C6)O)OC(C(O)C5O)COC(C=Cc(c4)ccc(O)c4)=O)c3)c(c2)ccc(O)c2)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 FL7AAAGL0045 See above. Saito_N et al. 1996