FL7AACGL0076

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Upper classes : FL Flavonoid : FL7 Anthocyani(di)n : FL7A Anthocyani(di)n :  FL7AAC Cyanidin (170 pages) :  FL7AACGL Anthocyanin (3-Glucoside related) (132 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	176260-03-0
KEGG	{{{KEGG}}}
KNApSAcK	C00006852
CDX file
MOL file	FL7AACGL0076.mol

Cyanidin 3- (6",6"'-di-p-coumarylsophoroside) -5- (6-malonylglucoside)
Structural Information
Systematic Name	2- (3,4-Dihydroxyphenyl) -3- [ 2-O- [ 6-O- [ (E) -3- (4-hydroxyphenyl) propenoyl ] -beta-D-glucopyranosyl ] -6-O- [ (E) -3- (4-hydroxyphenyl) propenoyl ] -beta-D-glucopyranosyloxy ] -5- [ 6-O- (3-hydroxy-1,3-dioxopropyl) -beta-D-glucopyranosyloxy ] -7-hydroxy-1-benzopyrylium
Common Name	Cyanidin 3- (6",6"'-di-p-coumarylsophoroside) -5- (6-malonylglucoside) 2- (3,4-Dihydroxyphenyl) -3- [ 2-O- [ 6-O- [ (E) -3- (4-hydroxyphenyl) propenoyl ] -beta-D-glucopyranosyl ] -6-O- [ (E) -3- (4-hydroxyphenyl) propenoyl ] -beta-D-glucopyranosyloxy ] -5- [ 6-O- (3-hydroxy-1,3-dioxopropyl) -beta-D-glucopyranosyloxy ] -7-hydroxy-1-benzopyrylium
Symbol
Formula	C54H55O28
Exact Mass	1151.287986176
Average Mass	1151.9977
SMILES	[C@@H]([C@H]8O)([C@@H](OC(COC(=O)CC(O)=O)[C@H](O)8)Oc(c1)c(c3)c([o+1]c(c(O[C@@H](C(O[C@@H](O6)[C@H](O)[C@@H]([C@@H](C(COC(=O)C=Cc(c7)ccc(c7)O)6)O)O)5)O[C@@H]([C@H](O)C5O)COC(=O)C=Cc(c4)ccc(O)c4)3)c(c2)cc(c(c2)O)O)cc1O)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 Ajuga reptans FL7AACGL0076 See above. Terahara_N et al. 1996