FLIHBCNP0003

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	55607-51-7
KEGG	{{{KEGG}}}
KNApSAcK	C00010046
CDX file
MOL file	FLIHBCNP0003.mol

Isorobustin
Structural Information
Systematic Name	3- (1,3-Benzodioxol-5-yl) -4-hydroxy-5-methoxy-8,8-dimethyl-2H,8H-benzo [ 1,2-b:3,4-b' ] dipyran-2-one
Common Name	Isorobustin 3- (1,3-Benzodioxol-5-yl) -4-hydroxy-5-methoxy-8,8-dimethyl-2H,8H-benzo [ 1,2-b:3,4-b' ] dipyran-2-one
Symbol
Formula	C22H18O7
Exact Mass	394.10525293
Average Mass	394.37412000000006
SMILES	O(c35)C(=O)C(=C(c3c(cc(c45)OC(C=C4)(C)C)OC)O)c(c2)ccc(c21)OCO1
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 Derris spruceana FLIHBCNP0003 See above. Garcia_M et al. 1986