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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:23 UTC
Update Date2025-03-21 18:36:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111269
Frequency31.2
Structure
Chemical FormulaC14H11NO2
Molecular Mass225.079
SMILESO=C1NC(c2ccc(O)cc2)c2ccccc21
InChI KeyLAJONVORUKZRMR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoindoles and derivatives
Subclass isoindolines
Direct Parent isoindolones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • isoindoles
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • monocyclic benzene moiety
  • lactam
  • azacycle
  • isoindole
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • isoindolone
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound