FL7AAAGL0054

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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	165070-66-6
KEGG	{{{KEGG}}}
KNApSAcK	C00011185
CDX file
MOL file	FL7AAAGL0054.mol

Pelargonidin 3-O- (6-O-malonyl-beta-D-glucopyranoside) -7-O- (6-O- (4-O- (trans-caffeyl) -beta-D-glucopyranosyl) -trans-caffeyl) -beta-D-glucopyranoside)
Structural Information
Systematic Name	3,5,7,4'-Tetrahydroxyflavylium 3-O- (6-O-malonyl-beta-D-glucopyranoside) -7-O- (6-O- (4-O- (trans-caffeyl) -beta-D-glucopyranosyl) -trans-caffeyl) -beta-D-glucopyranoside)
Common Name	Pelargonidin 3-O- (6-O-malonyl-beta-D-glucopyranoside) -7-O- (6-O- (4-O- (trans-caffeyl) -beta-D-glucopyranosyl) -trans-caffeyl) -beta-D-glucopyranoside) 3,5,7,4'-Tetrahydroxyflavylium 3-O- (6-O-malonyl-beta-D-glucopyranoside) -7-O- (6-O- (4-O- (trans-caffeyl) -beta-D-glucopyranosyl) -trans-caffeyl) -beta-D-glucopyranoside)
Symbol
Formula	C54H55O29
Exact Mass	1167.282900798
Average Mass	1167.9971
SMILES	C([C@H]1O)(O)C(O)[C@H](Oc(c(c(c8)ccc(O)c8)7)cc(c([o+1]7)2)c(cc(O[C@H](O3)[C@@H](O)[C@H]([C@H](C3COC(=O)C=Cc(c6)ccc(c(O)6)O[C@H](O4)C(O)C(O)[C@@H](O)[C@H]4COC(C=Cc(c5)ccc(O)c5O)=O)O)O)c2)O)O[C@@H]1COC(CC(O)=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 Senecio cruentus FL7AAAGL0054 See above. Toki_K et al. 1995