FL1DA9GS0002

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	271579-12-5
KEGG	{{{KEGG}}}
KNApSAcK	C00014626
CDX file
MOL file	FL1DA9GS0002.mol

Thonningianin B
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) ] -beta-D-glucopyranoside
Common Name	Thonningianin B 3,5-Dihydroxy-4- (3-phenyl-1-oxopropyl) phenyl 4-O,6-O- [ 4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diylbis (carbonyl) ] -beta-D-glucopyranoside
Symbol
Formula	C35H30O17
Exact Mass	722.148299534
Average Mass	722.6025
SMILES	c(c1)ccc(CCC(c(c6O)c(cc(c6)OC(C5O)OC(C(C5O)4)COC(=O)c(c2c(c3C(=O)O4)c(O)c(c(O)c3)O)cc(O)c(O)c2O)O)=O)c1
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 Thonningia sanguinea FL1DA9GS0002 See above. Ohtani_II et al. 2000