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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:56 UTC
Update Date2025-03-21 18:35:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107754
Frequency24.9
Structure
Chemical FormulaC6H3Cl2NO3
Molecular Mass206.949
SMILESO=[N+]([O-])c1cc(Cl)c(O)cc1Cl
InChI KeyBWQWBOCFVUBGEF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass nitrophenols
Direct Parent nitrophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl chlorides
  • dichlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • m-chlorophenols
  • nitroaromatic compounds
  • nitrobenzenes
  • o-chlorophenols
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organochlorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • organochloride
  • allyl-type 1,3-dipolar organic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitrophenol
  • nitrobenzene
  • nitroaromatic compound
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • 1,4-dichlorobenzene
  • organic 1,3-dipolar compound
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound
  • organic hyponitrite