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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:25 UTC
Update Date2025-03-25 00:54:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204490
Frequency0.5
Structure
Chemical FormulaC9H8ClNO2
Molecular Mass197.0244
SMILESO=CCNC(=O)c1ccccc1Cl
InChI KeyFAKKEVPNKACVPM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent 2-halobenzoic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aldehydes
  • aryl chlorides
  • benzamides
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • chlorobenzenes
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • vinylogous halides
    • Substituents
  • carbonyl group
  • organochloride
  • benzoyl
  • carboxylic acid derivative
  • organohalogen compound
  • benzamide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • aryl chloride
  • chlorobenzene
  • aldehyde
  • carboxamide group
  • vinylogous halide
  • 2-halobenzoic acid or derivatives
  • aryl halide
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound