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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:26 UTC
Update Date2025-03-25 00:56:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220894
Frequency0.5
Structure
Chemical FormulaC12H14N2O2
Molecular Mass218.1055
SMILESO=C1CCC(O)=NC(Cc2ccccc2)N1
InChI KeyQNMUDUJRFVIYRA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepines
Subclass 1,3-diazepines
Direct Parent 1,3-diazepines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
    • Substituents
  • meta-diazepine
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • carboxamide group
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound