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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:25 UTC
Update Date2025-03-25 00:47:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163390
Frequency0.5
Structure
Chemical FormulaC8H5Cl4NO
Molecular Mass270.9125
SMILESO=C(Nc1ccc(Cl)cc1Cl)C(Cl)Cl
InChI KeyILYNAJXMLCGKHL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent anilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl chlorides
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dichlorobenzenes
  • hydrocarbon derivatives
  • n-arylamides
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • alkyl chloride
  • organochloride
  • n-arylamide
  • carboxylic acid derivative
  • organohalogen compound
  • 1,3-dichlorobenzene
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • aryl chloride
  • chlorobenzene
  • carboxamide group
  • aryl halide
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound