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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:10:53 UTC
Update Date2025-03-25 00:36:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02088035
Frequency0.6
Structure
Chemical FormulaC6H7NO2
Molecular Mass125.0477
SMILESO=CN1C=CCCC1=O
InChI KeySKXRTETYPWRVQN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dicarboximides
  • hydrocarbon derivatives
  • n-substituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • azacycle
  • tetrahydropyridine
  • carboxylic acid derivative
  • carboxylic acid imide
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • dicarboximide
  • organic nitrogen compound
  • carboxylic acid imide, n-substituted
  • organooxygen compound