BMMCBZ2Pd045
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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 | |
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LipidBank | [1] |
LipidMaps | [2] |
CAS | 209783-08-4 |
KEGG | C06645 |
KNApSAcK | |
CDX file | |
MOL file | BMMCBZ2Pd045.mol |
6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8-trichloroocta-2E,4E,7E- | |
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Structural Information | |
Systematic Name | 6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8-trichloroocta- (2E,4E,7E) -trienoic acid |
Common Name |
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Symbol | |
Formula | C14H8Cl4O4 |
Exact Mass | 379.9176 |
Average Mass | 382.0217 |
SMILES | OC(=O)C(O)=C(Cl)C=CC(=O)C(=C(Cl)Cl)c(c1)ccc(Cl)c1 |
Physicochemical Information | |
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Related Atomic Mappings, Enzymes, and Pathways
- 3-Chloro-6- [2,2-dichloro-1- (4-chlorophenyl) ethenyl] benzene-1,2-diol ⇔ this
- this ⇔ 2-Hydroxy-3-chloro-penta-2,4-dienoic acid
- this ⇔ 3,3-Dichloro-2- (4-chlorophenyl) prop-2-enoic acid