FL7AACGL0073

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	170717-21-2,36570-76-0
KEGG	{{{KEGG}}}
KNApSAcK	C00006849
CDX file
MOL file	FL7AACGL0073.mol

Cyanidin 3-(6",6"'-dicaffeylsophoroside)-5-glucoside
Structural Information
Systematic Name	3',4',7-Trihydroxy-5-(beta-D-glucopyranosyloxy)-3-[6-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-2-O-[6-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]anthocyanidin
Common Name	Cyanidin 3-(6",6"'-dicaffeylsophoroside)-5-glucoside 3',4',7-Trihydroxy-5-(beta-D-glucopyranosyloxy)-3-[6-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-2-O-[6-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]anthocyanidin
Symbol
Formula	C51H53O27
Exact Mass	1097.27742149
Average Mass	1097.95032
SMILES	O=C(C=Cc(c8)cc(O)c(c8)O)OC[C@H]([C@H](O)1)O[C@@H](Oc(c6c(c7)ccc(c(O)7)O)cc(c([o+1]6)5)c(cc(O)c5)O[C@H](O4)[C@H]([C@@H](O)[C@H](C4CO)O)O)C(O[C@@H](O2)[C@H](O)[C@@H]([C@@H](C2COC(=O)C=Cc(c3)cc(O)c(c3)O)O)O)C(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 Ipomoea batatas FL7AACGL0073 See above. Odake_K et al. 1992 Ipomoea purpurea FL7AACGL0073 See above. Pomilio_AB et al. 1972 Ipomoea purpurea FL7AACGL0073 See above. Saito_N et al. 1995