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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:16 UTC
Update Date2025-03-25 00:49:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176826
Frequency0.5
Structure
Chemical FormulaC8H6ClNO2
Molecular Mass183.0087
SMILESCOc1cc(O)c(Cl)cc1C#N
InChI KeyZXDZWOCTCZBXKE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aryl chlorides
  • benzonitriles
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • methoxybenzenes
  • nitriles
  • o-chlorophenols
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • nitrile
  • organochloride
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organohalogen compound
  • organonitrogen compound
  • organopnictogen compound
  • carbonitrile
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • methoxybenzene
  • benzonitrile
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • organooxygen compound