FLIE1ANS0002
From Metabolomics.JP
Flavonoid Top | Molecule Index | Author Index | Journals | Structure Search | Food | New Input |
Upper classes : FL Flavonoid : FLI Isoflavonoid : FLIE Coumestan : FLIE1A Coumestrol and O-methyl derivtives (15 pages) : FLIE1ANS Simple substitution (2 pages)
IDs and Links | |
---|---|
LipidBank | [1] |
LipidMaps | [2] |
CAS | 1690-62-6 |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | FLIE1ANS0002.mol |
4'-O-Methylcoumestrol | |
---|---|
Structural Information | |
Systematic Name | 3-Hydroxy-9-methoxycoumestan |
Common Name |
|
Symbol | |
Formula | C16H10O5 |
Exact Mass | 282.05282343 |
Average Mass | 282.2476 |
SMILES | COc(c4)cc(o1)c(c4)c(C(=O)2)c1c(c3)c(cc(O)c3)O2 |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | |
Spectral Information | |
Mass Spectra | |
UV Spectra | |
IR Spectra | |
NMR Spectra | |
Chromatograms |