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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:43 UTC
Update Date2025-03-25 00:49:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177881
Frequency0.5
Structure
Chemical FormulaC13H4Cl5NO2
Molecular Mass380.8685
SMILESN#Cc1c(O)c(Cl)c(Cl)c(Cl)c1Oc1ccc(Cl)cc1Cl
InChI KeyYHOZDADFPFWXQN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • benzonitriles
  • diarylethers
  • dichlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • m-chlorophenols
  • nitriles
  • o-chlorophenols
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • p-chlorophenols
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • nitrile
  • organochloride
  • organohalogen compound
  • 1,3-dichlorobenzene
  • 4-halophenol
  • organonitrogen compound
  • organopnictogen compound
  • carbonitrile
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • 4-chlorophenol
  • benzonitrile
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound