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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:47:26 UTC
Update Date2025-03-21 20:03:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00313476
Frequency6.2
Structure
Chemical FormulaC9H9N
Molecular Mass131.0735
SMILESC1=NCc2ccccc2C1
InChI KeyVPKAHUMPZYVNIV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
ClassNot Available
Subclass benzenoids
Direct Parent benzenoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • aromatic heteropolycyclic compound
  • imine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • benzenoid
  • organic nitrogen compound
  • organoheterocyclic compound
  • propargyl-type 1,3-dipolar organic compound