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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:56:30 UTC
Update Date2025-03-24 14:39:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00905853
Frequency1.6
Structure
Chemical FormulaC9H9N
Molecular Mass131.0735
SMILESCC1N=Cc2ccccc21
InChI KeyKRBSTOPANUCJLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoindoles and derivatives
Subclass isoindoles
Direct Parent isoindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • imine
  • isoindole
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound