BMMCACCHq013
From Metabolomics.JP
| Basic Metabolism Top (代謝トップ) |
Molecule Index (化合物索引) |
EC classes ( EC分類) |
Input New Data (新規入力) |
Upper classes : BM Basic Metabolites : BMMC mono- or assembled cycle 単、複合環 : BMMCAC aliphatic cycle 脂肪族環 (47 pages) : BMMCACCH cyclohexane シクロヘキサン (22 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 1021481-41-3 |
| KEGG | C04166 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCACCHq013.mol |
| (+/-) -6-Hydroxy-3-oxo-alpha-ionol | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 4-Hydroxy-4- [(E) -3-hydroxybut-1-enyl] -3,5,5-trimethylcyclohex-2-en-1-one |
| Common Name |
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| Symbol | |
| Formula | C13H20O3 |
| Exact Mass | 224.1412 |
| Average Mass | 224.296 |
| SMILES | CC(O)C=CC(O)(C(C)=1)C(C)(C)CC(=O)C1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
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| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
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| NMR Spectra | |
| Chromatograms | |
Related Atomic Mappings, Enzymes, and Pathways
