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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:52 UTC
Update Date2025-03-25 00:50:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180487
Frequency0.5
Structure
Chemical FormulaC14H11NO
Molecular Mass209.0841
SMILESOc1ccc(C2=NCc3ccccc32)cc1
InChI KeyOVTIATKAAPFBRV-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
  • hydrocarbon derivatives
  • ketimines
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • monocyclic benzene moiety
  • azacycle
  • imine
  • 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
  • organooxygen compound