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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:39 UTC
Update Date2025-03-25 00:47:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161643
Frequency0.5
Structure
Chemical FormulaC14H12Cl3NO2
Molecular Mass330.9934
SMILESNCC(O)c1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1
InChI KeyLRTKKJYJCHCXNZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • aryl chlorides
  • diarylethers
  • dichlorobenzenes
  • hydrocarbon derivatives
  • monoalkylamines
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • diaryl ether
  • phenol ether
  • ether
  • organochloride
  • organohalogen compound
  • 1,3-dichlorobenzene
  • organonitrogen compound
  • organopnictogen compound
  • aryl chloride
  • chlorobenzene
  • alcohol
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound