FL7AACGL0069

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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	119818-02-9,107480-91-1,63003-10-1
KEGG	{{{KEGG}}}
KNApSAcK	C00006845
CDX file
MOL file	FL7AACGL0069.mol

Cyanidin 3- (6"-sinapylsophoroside) -5-glucoside
Structural Information
Systematic Name	3',4',7-Trihydroxy-5- (beta-D-glucopyranosyloxy) -3- [ 6-O- [ 3- (4-hydroxy-3,5-dimethoxyphenyl) propenoyl ] -2-O- (beta-D-glucopyranosyl) -beta-D-glucopyranosyloxy ] anthocyanidin
Common Name	Cyanidin 3- (6"-sinapylsophoroside) -5-glucoside 3',4',7-Trihydroxy-5- (beta-D-glucopyranosyloxy) -3- [ 6-O- [ 3- (4-hydroxy-3,5-dimethoxyphenyl) propenoyl ] -2-O- (beta-D-glucopyranosyl) -beta-D-glucopyranosyloxy ] anthocyanidin
Symbol
Formula	C44H51O25
Exact Mass	979.271942182
Average Mass	979.8607400000001
SMILES	c(c(O)1)c(c([o+1]5)c(cc(c(O[C@H](O7)[C@@H](O)[C@@H](O)[C@@H](O)C7CO)6)c5cc(O)c6)O[C@H]([C@@H]3O[C@@H]([C@H]4O)OC([C@H](O)[C@H](O)4)CO)OC([C@H]([C@H]3O)O)COC(C=Cc(c2)cc(OC)c(c(OC)2)O)=O)ccc1O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
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Solubility
Spectral Information
Mass Spectra
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IR Spectra
NMR Spectra
Chromatograms

Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Brassica oleracea FL7AACGL0069 See above. Hrazdina_G et al. 1977 Brassica oleracea FL7AACGL0069 See above. Idaka_E et al. 1987