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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:09 UTC
Update Date2025-03-25 00:47:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162791
Frequency0.5
Structure
Chemical FormulaC12H10ClNO2
Molecular Mass235.04
SMILESO=C(NCc1ccc(Cl)cc1)c1ccco1
InChI KeyZYYQNPNUQWHIFR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furoic acid and derivatives
Direct Parent furoic acid and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-heteroaryl carboxamides
  • aryl chlorides
  • carboxylic acids and derivatives
  • chlorobenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • 2-heteroaryl carboxamide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • aryl chloride
  • chlorobenzene
  • furoic acid or derivatives
  • heteroaromatic compound
  • carboxamide group
  • aryl halide
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound