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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:26:20 UTC
Update Date2025-03-24 20:19:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01410147
Frequency0.9
Structure
Chemical FormulaC6H7NO2
Molecular Mass125.0477
SMILESC=CCN=C(O)C=C=O
InChI KeyNXGBBOKPXARVDL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboximidic acids and derivatives
Subclass carboximidic acids
Direct Parent carboximidic acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketenes
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • ynolates
    • Substituents
  • aliphatic acyclic compound
  • carboximidic acid
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • ynolate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • ketene
  • organooxygen compound