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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:42:44 UTC
Update Date2025-03-24 21:45:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01878699
Frequency0.6
Structure
Chemical FormulaC7H9NO2
Molecular Mass139.0633
SMILESOC1=NC2C=CC(C1)C2O
InChI KeyZHUWCHKFVXIDIE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • tetrahydropyridines
    • Substituents
  • alcohol
  • azacycle
  • tetrahydropyridine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • organic oxygen compound
  • azepine
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound