FL7AACGL0115

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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	215176-96-8
KEGG	{{{KEGG}}}
KNApSAcK	C00014776
CDX file
MOL file	FL7AACGL0115.mol

Cyanidin 3- (6-malonylglucoside) -7- (6-caffeoylglucoside) -3'-glucoside
Structural Information
Systematic Name	3- [ [ 6-O- (3-Hydroxy-1,3-dioxopropyl) -beta-D-glucopyranosyl ] oxy ] -7- [ [ 6-O- (3,4-dihydroxycinnamoyl) -beta-D-glucopyranosyl ] oxy ] -3'- (beta-D-glucopyranosyloxy) -4',5-dihydroxyanthocyanidin
Common Name	Cyanidin 3- (6-malonylglucoside) -7- (6-caffeoylglucoside) -3'-glucoside 3- [ [ 6-O- (3-Hydroxy-1,3-dioxopropyl) -beta-D-glucopyranosyl ] oxy ] -7- [ [ 6-O- (3,4-dihydroxycinnamoyl) -beta-D-glucopyranosyl ] oxy ] -3'- (beta-D-glucopyranosyloxy) -4',5-dihydroxyanthocyanidin
Symbol
Formula	C45H49O27
Exact Mass	1021.2461213619999
Average Mass	1021.8543599999999
SMILES	Oc(c1O)cc(C=CC(OCC(O2)C(O)C(O)C(O)C2Oc(c7)cc(O)c(c57)cc(OC(O6)C(O)C(C(C6COC(=O)CC(O)=O)O)O)c([o+1]5)c(c3)ccc(c3OC(C(O)4)OC(C(C4O)O)CO)O)=O)cc1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
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Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Sophronitis coccinea FL7AACGL0115 See above. Tatsuzawa_F et al. 1998