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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:17 UTC
Update Date2025-03-25 00:51:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190553
Frequency0.5
Structure
Chemical FormulaC13H12N2O
Molecular Mass212.095
SMILESC=C1CC(c2c[nH]c3ccccc23)NC1=O
InChI KeyDVQLADCIPHBJLT-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • azacycle
  • indole
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • organooxygen compound