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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:00 UTC
Update Date2025-03-25 00:49:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171587
Frequency0.5
Structure
Chemical FormulaC10H9ClN2O
Molecular Mass208.0403
SMILESCN1C(=O)CN=C1c1ccc(Cl)cc1
InChI KeyGEFUNVCHIAWRBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • chlorobenzenes
  • hydrocarbon derivatives
  • imidazolinones
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • organochloride
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • imidazolinone
  • organoheterocyclic compound
  • aryl chloride
  • chlorobenzene
  • azacycle
  • organic 1,3-dipolar compound
  • carboximidamide
  • aryl halide
  • organic oxygen compound
  • 2-imidazoline
  • imidazoline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound