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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:32 UTC
Update Date2025-03-21 18:40:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130714
Frequency19.4
Structure
Chemical FormulaC8H9Cl2NO
Molecular Mass205.0061
SMILESNCCc1cc(Cl)c(O)c(Cl)c1
InChI KeyWXLFWUTYXBCRSN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent dichlorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • halophenols
  • hydrocarbon derivatives
  • monoalkylamines
  • o-chlorophenols
  • organochlorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • aryl chloride
  • 2-chlorophenol
  • organochloride
  • organohalogen compound
  • aryl halide
  • 1,3-dichlorobenzene
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound