FL3FCACS0025

Flavonoid Top

Molecule Index

Author Index

Journals

Structure Search

Food

New Input

Upper classes : FL Flavonoid : FL3 Flavone :  FL3FCA Genkwanin (48 pages) :  FL3FCACS C-Glycoside (32 pages)

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