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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:25 UTC
Update Date2025-03-21 18:35:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104027
Frequency26.1
Structure
Chemical FormulaC8H8ClNO2
Molecular Mass185.0244
SMILESCC(=O)Nc1ccc(O)cc1Cl
InChI KeyCDGZSMOCDYNULJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent o-haloacetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetamides
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • m-chlorophenols
  • n-acetylarylamines
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • n-acetylarylamine
  • organochloride
  • o-haloacetanilide
  • 1-hydroxy-2-unsubstituted benzenoid
  • n-arylamide
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • aryl chloride
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • carboxamide group
  • aryl halide
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound