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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:08:01 UTC
Update Date2025-03-21 18:30:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00081427
Frequency35.6
Structure
Chemical FormulaC20H15NO2
Molecular Mass301.1103
SMILESOC1=NC(c2ccccc2)(c2ccc(O)cc2)c2ccccc21
InChI KeyQFCOCIMDAMXDGI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoindoles and derivatives
Subclass isoindoles
Direct Parent isoindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • azacycle
  • isoindole
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound