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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:09:39 UTC
Update Date2025-03-25 01:19:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02361254
Frequency0.5
Structure
Chemical FormulaC6H5NO2
Molecular Mass123.032
SMILESCC1=CC(=O)C=NC1=O
InChI KeyDQYAHCKHEMLITN-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
  • carboxylic acids and derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • n-acylimine
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • cyclic ketone
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound