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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:31:02 UTC
Update Date2025-03-21 18:41:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136437
Frequency18.4
Structure
Chemical FormulaC8H2Cl3NO2
Molecular Mass248.9151
SMILESN#Cc1c(Cl)c(Cl)c(O)c(C=O)c1Cl
InChI KeySPTXHGDKTUGVDI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent hydroxybenzaldehydes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • benzonitriles
  • benzoyl derivatives
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • m-chlorophenols
  • nitriles
  • o-chlorophenols
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • vinylogous acids
  • vinylogous halides
    • Substituents
  • monocyclic benzene moiety
  • nitrile
  • organochloride
  • benzoyl
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • carbonitrile
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • vinylogous halide
  • benzonitrile
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • vinylogous acid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • hydroxybenzaldehyde