FL7AACGL0075

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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	117894-45-8,119722-79-1,110219-77-7
KEGG	{{{KEGG}}}
KNApSAcK	C00006851
CDX file
MOL file	FL7AACGL0075.mol

Cyanidin 3- (6"-p-coumaryl-2"-sinapylsophoroside) -5-glucoside
Structural Information
Systematic Name	2- (3,4-Dihydroxyphenyl) -3- [ 2-O- [ 2-O- [ 3- (3,5-dimethoxy-4-hydroxyphenyl) acryloyl ] -beta-D-glucopyranosyl ] -6-O- [ 3- (4-hydroxyphenyl) acryloyl ] -beta-D-glucopyranosyloxy ] -5- (beta-D-glucopyranosyloxy) -1-benzopyrylium-7-ol
Common Name	Cyanidin 3- (6"-p-coumaryl-2"-sinapylsophoroside) -5-glucoside 2- (3,4-Dihydroxyphenyl) -3- [ 2-O- [ 2-O- [ 3- (3,5-dimethoxy-4-hydroxyphenyl) acryloyl ] -beta-D-glucopyranosyl ] -6-O- [ 3- (4-hydroxyphenyl) acryloyl ] -beta-D-glucopyranosyloxy ] -5- (beta-D-glucopyranosyloxy) -1-benzopyrylium-7-ol
Symbol
Formula	C53H57O27
Exact Mass	1125.308721618
Average Mass	1126.0034799999999
SMILES	O[C@H](C(COC(C=Cc(c8)ccc(c8)O)=O)5)[C@@H](O)[C@@H](O[C@H](O7)[C@H]([C@H]([C@@H](O)C(CO)7)O)OC(=O)C=Cc(c6)cc(c(c6OC)O)OC)[C@H](O5)Oc(c(c(c4)cc(c(O)c4)O)1)cc(c(O[C@H](O3)[C@@H](O)[C@H]([C@@H](O)C(CO)3)O)2)c(cc(c2)O)[o+1]1
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 Brassica oleracea FL7AACGL0075 See above. Idaka_E et al. 1987