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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:36:45 UTC
Update Date2025-03-24 20:49:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01578878
Frequency0.8
Structure
Chemical FormulaC6H7NO3
Molecular Mass141.0426
SMILESO=C(O)CCC1C=NC1=O
InChI KeyIYQIOXALHHJALF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass imines
Direct Parent n-acylimines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • n-acylimine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound