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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:04:13 UTC
Update Date2025-03-24 16:38:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00924577
Frequency1.6
Structure
Chemical FormulaC6H7NO2
Molecular Mass125.0477
SMILESCC1N=C(O)C=CC1=O
InChI KeyCQZWZDRWPRBQDF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboximidic acids and derivatives
Subclass carboximidic acids
Direct Parent cyclic carboximidic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • cyclic ketone
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organoheterocyclic compound
  • organooxygen compound