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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:16:51 UTC
Update Date2025-03-24 21:06:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01674459
Frequency0.7
Structure
Chemical FormulaC8H13NO
Molecular Mass139.0997
SMILESCC=CC=CCC(O)=NC
InChI KeyNMPHPLMJCSCBNK-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
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • carboximidic acid
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • organic nitrogen compound
  • organooxygen compound
  • propargyl-type 1,3-dipolar organic compound