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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:28 UTC
Update Date2025-03-25 00:50:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181882
Frequency0.5
Structure
Chemical FormulaC14H13N3O
Molecular Mass239.1059
SMILESO=C(NCc1c[nH]c2ccccc12)c1ccc[nH]1
InChI KeyGMIDYORVHVXYID-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-heteroaryl carboxamides
  • azacyclic compounds
  • benzenoids
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyrrole carboxamides
  • secondary carboxylic acid amides
    • Substituents
  • azacycle
  • indole
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • 2-heteroaryl carboxamide
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • pyrrole-2-carboxylic acid or derivatives
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • pyrrole-2-carboxamide
  • organic nitrogen compound
  • organooxygen compound