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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:49 UTC
Update Date2025-03-25 01:00:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241996
Frequency0.5
Structure
Chemical FormulaC15H19ClN2O2
Molecular Mass294.1135
SMILESCC(C)CC1N=C(O)C(Cc2ccc(Cl)cc2)N=C1O
InChI KeyVOSRLBKRXAWDEG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent chlorobenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • organochlorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aryl chloride
  • chlorobenzene
  • aromatic heteromonocyclic compound
  • azacycle
  • organochloride
  • organic 1,3-dipolar compound
  • organohalogen compound
  • aryl halide
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organoheterocyclic compound
  • organooxygen compound