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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:51:09 UTC
Update Date2025-03-25 00:26:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01325992
Frequency1.0
Structure
Chemical FormulaC6H7NO2
Molecular Mass125.0477
SMILESCC1C(=O)C=CNC1=O
InChI KeyXTZGKHHCMVWDAK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • carboxylic acids and derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • vinylogous amide
  • carbonyl group
  • lactam
  • azacycle
  • tetrahydropyridine
  • cyclic ketone
  • carboxamide group
  • carboxylic acid derivative
  • ketone
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound