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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:15 UTC
Update Date2025-03-21 18:38:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122950
Frequency21.0
Structure
Chemical FormulaC12H6Cl4O2
Molecular Mass321.9122
SMILESOc1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1Cl
InChI KeyAOGWSEDIPQGFHT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl chlorides
  • diarylethers
  • dichlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • m-chlorophenols
  • o-chlorophenols
  • organochlorides
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • 1,3-dichlorobenzene
  • 1,2-dichlorobenzene
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound