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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:52 UTC
Update Date2025-03-21 18:39:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126731
Frequency20.2
Structure
Chemical FormulaC10H5Cl3N2O
Molecular Mass273.9467
SMILESCCOc1c(Cl)c(Cl)c(C#N)c(Cl)c1C#N
InChI KeyQBZLGFAVZOKTLP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl chlorides
  • benzonitriles
  • chlorobenzenes
  • hydrocarbon derivatives
  • nitriles
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
    • Substituents
  • aryl chloride
  • chlorobenzene
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • nitrile
  • organochloride
  • alkyl aryl ether
  • organohalogen compound
  • benzonitrile
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • carbonitrile
  • organooxygen compound