BMMCACCHk010
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 | 494211-79-9;10534-44-8 |
| KEGG | C00944 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCACCHk010.mol |
| 3-Dehydroquinic acid | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid |
| Common Name |
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| Symbol | |
| Formula | C7H10O6 |
| Exact Mass | 190.0477 |
| Average Mass | 190.1507 |
| SMILES | O[C@H](C1)[C@H](O)C(=O)C[C@@](O)1C(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
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| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
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| NMR Spectra | |
| Chromatograms | |
Related Atomic Mappings, Enzymes, and Pathways
