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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:43 UTC
Update Date2025-03-21 18:36:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112098
Frequency23.7
Structure
Chemical FormulaC9H2ClN3O
Molecular Mass202.9886
SMILESN#Cc1cc(C#N)c(Cl)c(C#N)c1O
InChI KeyJVMFFPBLBMAOFN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • benzonitriles
  • chlorobenzenes
  • hydrocarbon derivatives
  • m-chlorophenols
  • nitriles
  • organochlorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • aryl chloride
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • monocyclic benzene moiety
  • nitrile
  • organochloride
  • organohalogen compound
  • benzonitrile
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • carbonitrile
  • organooxygen compound