FL7AACGL0081

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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	170663-60-2
KEGG	{{{KEGG}}}
KNApSAcK	C00006857
CDX file
MOL file	FL7AACGL0081.mol

Cyanidin 3-glucoside-5,3'-di- (caffeoylglucoside)
Structural Information
Systematic Name	3,5,7,3',4'-Pentahydroxyflavylium 3-glucoside-5,3'-di- (caffeoylglucoside)
Common Name	Cyanidin 3-glucoside-5,3'-di- (caffeoylglucoside) Gentiocyanin B 3,5,7,3',4'-Pentahydroxyflavylium 3-glucoside-5,3'-di- (caffeoylglucoside)
Symbol
Formula	C51H53O27
Exact Mass	1097.27742149
Average Mass	1097.95032
SMILES	Oc(c1)c(O)ccc(C=CC(OCC(O2)C(C(O)C(O)C2Oc(c3)c(ccc(c([o+1]4)c(OC(C(O)8)OC(CO)C(O)C(O)8)cc(c(OC(C6O)OC(COC(C=Cc(c7)ccc(O)c7O)=O)C(C6O)O)5)c4cc(c5)O)3)O)O)=O)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 Gentiana sp. FL7AACGL0081 See above. Hosokawa_K et al. 1995