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🧪 6-Oxo-2-hydroxy-7-(4`-chlorophenyl)-3,8,8,8-tetrachloroocta-2Z,4Z-dienoate

Appears in: 1 pathway
Produces: 1 compound
Produced by: 1 transformation

Chemical Structure

6-Oxo-2-hydroxy-7-(4`-chlorophenyl)-3,8,8,8-tetrachloroocta-2Z,4Z-dienoate

📋 Properties

SMILES:
O=C([O-])C(O)=C(Cl)C=CC(=O)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl
InChI:
InChI=1S/C14H9Cl5O4/c15-8-3-1-7(2-4-8)11(14(17,18)19)10(20)6-5-9(16)12(21)13(22)23/h1-6,11,21H,(H,22,23)/p-1/b6-5-,12-9-
Database ID:
672
External:
View on PubChem ↗

🔬 Reactant

Reactant 6-Oxo-2-hydroxy-7-(4`-chlorophenyl)-3,8,8,8-tetrachloroocta-2Z,4Z-dienoate → Product 4-Chlorobenzoate
Eawag BBD reaction r0453
In pathway: 1,1,1-Trichloro-2,2-bis-(4`-chlorophenyl)ethane (DDT)

🔬 Product

Reactant 2,3-Dihydroxy DDT → Product 6-Oxo-2-hydroxy-7-(4`-chlorophenyl)-3,8,8,8-tetrachloroocta-2Z,4Z-dienoate
2,3-dihydroxy DDT 1,2-dioxygenase (Eawag BBD reaction r0452)       (EC 1.13.11.-)
In pathway: 1,1,1-Trichloro-2,2-bis-(4`-chlorophenyl)ethane (DDT)

🗺️ All Pathways Containing This Compound

1,1,1-Trichloro-2,2-bis-(4`-chlorophenyl)ethane (DDT)
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