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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:43 UTC
Update Date2025-03-25 00:46:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157390
Frequency0.5
Structure
Chemical FormulaC12H11N3O2
Molecular Mass229.0851
SMILESO=C1NCC(c2c[nH]c3ccccc23)C(=O)N1
InChI KeyFOXOKWOYZGGXJC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • diazinanes
  • dicarboximides
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-acyl ureas
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrimidones
  • pyrroles
    • Substituents
  • carbonyl group
  • indole
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • 1,3-diazinane
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • dicarboximide
  • ureide
  • n-acyl urea
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound