FL3FCACS0025

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	77690-91-6
KEGG	{{{KEGG}}}
KNApSAcK	C00006337
CDX file
MOL file	FL3FCACS0025.mol

Spinosin 6"'-(E)-sinapoyl ester
Structural Information
Systematic Name	6-[2-O-[6-O-[3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
Common Name	Spinosin 6"'-(E)-sinapoyl ester Swertisin 6"'-O-sinapoyl 2"-O-glucoside 6-[2-O-[6-O-[3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
Symbol
Formula	C39H42O19
Exact Mass	814.2320291619999
Average Mass	814.73938
SMILES	OC(C(O)2)[C@@H](O)[C@H](O[C@H]2O[C@H]([C@@H]3c(c6O)c(cc(c65)OC(=CC5=O)c(c4)ccc(c4)O)OC)[C@H]([C@@H](O)C(CO)O3)O)COC(=O)C=Cc(c1)cc(c(c(OC)1)O)OC
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 Ziziphus jujuba FL3FCACS0025 See above. Woo_WS et al. 1980