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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:00:44 UTC
Update Date2025-03-24 19:51:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01059443
Frequency1.3
Structure
Chemical FormulaC10H11N
Molecular Mass145.0891
SMILESCC1(C)C=Nc2ccccc21
InChI KeyGTZVMEHLIMDKTK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent 3-alkylindoles
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
  • 3-alkylindole
  • 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