FLIE1CNI0002
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
| − | |SysName=3,9-Dihydroxy-8-methoxy-7-(3-hydroxy-3-methylbutyl)coumestan | + | |SysName=3,9-Dihydroxy-8-methoxy-7- (3-hydroxy-3-methylbutyl) coumestan |
| − | |Common Name=&&Mirificoumestan hydrate&&3,9-Dihydroxy-8-methoxy-7-(3-hydroxy-3-methylbutyl)coumestan&& | + | |Common Name=&&Mirificoumestan hydrate&&3,9-Dihydroxy-8-methoxy-7- (3-hydroxy-3-methylbutyl) coumestan&& |
|CAS=114865-44-0 | |CAS=114865-44-0 | ||
|KNApSAcK=C00010056 | |KNApSAcK=C00010056 | ||
}} | }} | ||
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 | 114865-44-0 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | FLIE1CNI0002.mol |
| Mirificoumestan hydrate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 3,9-Dihydroxy-8-methoxy-7- (3-hydroxy-3-methylbutyl) coumestan |
| Common Name |
|
| Symbol | |
| Formula | C21H20O7 |
| Exact Mass | 384.120902994 |
| Average Mass | 384.37929999999994 |
| SMILES | C(C)(C)(O)CCc(c(OC)4)c(c3cc4O)c(C(=O)1)c(o3)c(c2)c |
| 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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