FL1DA9GS0001

Revision as of 09:00, 25 July 2008

Thonningianin A

Structural Information
Systematic Name	3,5-Dihydroxy-4- (3-phenyl-1-oxopropyl) phenyl 4-O,6-O- [ 4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diylbis (carbonyl) ] -3-O- (3,4,5-trihydroxybenzoyl) -beta-D-glucopyranoside
Common Name	Thonningianin A 3,5-Dihydroxy-4- (3-phenyl-1-oxopropyl) phenyl 4-O,6-O- [ 4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diylbis (carbonyl) ] -3-O- (3,4,5-trihydroxybenzoyl) -beta-D-glucopyranoside
Symbol
Formula	C42H34O21
Exact Mass	874.15925815
Average Mass	874.7067599999999
SMILES	`Oc(c15)c(c(O)cc1C(OC(C(OC(=O)c(c7)cc(c(O)c7O)O)4)C(COC(=O)c(c6)c5c(c(O)c(O)6)O)OC(C4O)Oc(c3)cc(c(c3O)C(CCc(c2)cccc2)=O)O)=O)O`
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Species-Flavonoid Relationship Reported

Species	ID	Metabolite Name	Reference
Thonningia sanguinea	FL1DA9GS0001	See above.	Ohtani_II et al. 2000

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 {{Metabolite
-|SysName=3,5-Dihydroxy-4-(3-phenyl-1-oxopropyl)phenyl 4-O,6-O-[4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diylbis(carbonyl)]-3-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside
+|SysName=3,5-Dihydroxy-4- (3-phenyl-1-oxopropyl) phenyl 4-O,6-O- [ 4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diylbis (carbonyl) ] -3-O- (3,4,5-trihydroxybenzoyl) -beta-D-glucopyranoside
-|Common Name=&&Thonningianin A&&3,5-Dihydroxy-4-(3-phenyl-1-oxopropyl)phenyl 4-O,6-O-[4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diylbis(carbonyl)]-3-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside&&
+|Common Name=&&Thonningianin A&&3,5-Dihydroxy-4- (3-phenyl-1-oxopropyl) phenyl 4-O,6-O- [ 4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diylbis (carbonyl) ] -3-O- (3,4,5-trihydroxybenzoyl) -beta-D-glucopyranoside&&
 |CAS=271579-11-4
 |KNApSAcK=C00014625
 }}