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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:40 UTC
Update Date2025-03-25 00:46:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02152668
Frequency0.5
Structure
Chemical FormulaC8H8ClN3O2
Molecular Mass213.0305
SMILESNC(=C[N+](=O)[O-])Nc1ccc(Cl)cc1
InChI KeyMSUNLWALEPCDEP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent chlorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • c-nitro compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organochlorides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alkylarylamines
    • Substituents
  • organochloride
  • allyl-type 1,3-dipolar organic compound
  • organohalogen compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • aryl chloride
  • chlorobenzene
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • amine
  • organic hyponitrite