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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:23 UTC
Update Date2025-03-25 00:47:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161040
Frequency0.5
Structure
Chemical FormulaC15H12ClN3O2
Molecular Mass301.0618
SMILESNC1=NC(c2ccccc2)(c2ccc(O)c(Cl)c2)C(O)=N1
InChI KeyXIDVLDAQQYOJCW-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
  • carboximidamides
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • imidazoles
  • o-chlorophenols
  • organochlorides
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • diphenylmethane
  • aromatic heteromonocyclic compound
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • azacycle
  • organic 1,3-dipolar compound
  • carboximidamide
  • aryl halide
  • 2-halophenol
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound