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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:33 UTC
Update Date2025-03-25 00:54:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204819
Frequency0.5
Structure
Chemical FormulaC7H4Cl2N2O
Molecular Mass201.9701
SMILESO=c1[nH][nH]c2cc(Cl)c(Cl)cc12
InChI KeyQBACUYGWOCWNDB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrazoles
Subclass indazoles
Direct Parent indazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyrazoles
  • pyrazolones
  • vinylogous amides
    • Substituents
  • aryl chloride
  • vinylogous amide
  • lactam
  • azacycle
  • organochloride
  • indazole
  • heteroaromatic compound
  • organohalogen compound
  • pyrazole
  • aryl halide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • benzopyrazole
  • organooxygen compound
  • azole
  • pyrazolinone