FLIE1CNI0003
From Metabolomics.JP
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|SysName=3,9-Dihydroxy-8-methoxy-7- (2,3-dihydroxy-3-methylbutyl) coumestan | |SysName=3,9-Dihydroxy-8-methoxy-7- (2,3-dihydroxy-3-methylbutyl) coumestan | ||
Latest revision as of 09:00, 22 September 2008
| Flavonoid Top | Molecule Index | Author Index | Journals | Structure Search | Food | New Input |
Upper classes : FL Flavonoid : FLI Isoflavonoid : FLIE Coumestan : FLIE1C 3,8,9-Trihydroxycoumestan O-methyl derivatives (7 pages) : FLIE1CNI Non-cyclic prenyl substituted (2 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 114865-43-9 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | FLIE1CNI0003.mol |
| Mirificoumestan glycol | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 3,9-Dihydroxy-8-methoxy-7- (2,3-dihydroxy-3-methylbutyl) coumestan |
| Common Name |
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| Symbol | |
| Formula | C21H20O8 |
| Exact Mass | 400.11581761599996 |
| Average Mass | 400.3787 |
| SMILES | COc(c(CC(O)C(C)(C)O)1)c(O)cc(o2)c1c(C(=O)3)c2c(c4) |
| 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 | ||||||||
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