BMMCACDEk001
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) : BMMCACDE cyclohexadiene シクロヘキサジエン (11 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 69016-53-1 |
| KEGG | C06720 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCACDEk001.mol |
| 1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (1R,6S) -1,6-Dihydroxy-5-methylcyclohexa-2,4-diene-1-carboxylic acid |
| Common Name |
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| Symbol | |
| Formula | C8H10O4 |
| Exact Mass | 170.0579 |
| Average Mass | 170.1626 |
| SMILES | CC(=C1)C(O)C(O)(C=C1)C(O)=O |
| Physicochemical Information | |
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| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
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| Spectral Information | |
| Mass Spectra | |
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Related Atomic Mappings, Enzymes, and Pathways
