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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:06 UTC
Update Date2025-03-21 18:39:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00127266
Frequency20.1
Structure
Chemical FormulaC15H11ClN2O3
Molecular Mass302.0458
SMILESOC1=NC(c2ccc(O)cc2)(c2ccc(Cl)cc2)C(O)=N1
InChI KeyKJXDNAFXQQBMOW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl chlorides
  • azacyclic compounds
  • chlorobenzenes
  • hydrocarbon derivatives
  • imidazoles
  • organochlorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aryl chloride
  • chlorobenzene
  • diphenylmethane
  • aromatic heteromonocyclic compound
  • azacycle
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • organohalogen compound
  • aryl halide
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • organoheterocyclic compound
  • organooxygen compound