BMMCBZ2Pd044
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 : BMMCBZ benzene ring ベンゼン環 : BMMCBZ2P with 2 substitutions (para) (64 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | ? |
| KEGG | C06651 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ2Pd044.mol |
| 6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8,8-tetrachloroocta-2E,4E-dienoate | |
|---|---|
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| Structural Information | |
| Systematic Name | 6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8,8-tetrachloroocta-2E,4E-dienoic acid |
| Common Name |
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| Symbol | |
| Formula | C14H9Cl5O4 |
| Exact Mass | 415.8943 |
| Average Mass | 418.4823 |
| SMILES | OC(=O)C(O)=C(Cl)C=CC(=O)C(c(c1)ccc(Cl)c1)C(Cl)(Cl) |
| Physicochemical Information | |
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