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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:41 UTC
Update Date2025-03-21 18:04:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00049765
Frequency66.2
Structure
Chemical FormulaC8H7N
Molecular Mass117.0578
SMILESC1=Nc2ccccc2C1
InChI KeyRKJUIXBNRJVNHR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • indole
  • imine
  • 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