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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:23:04 UTC
Update Date2025-03-25 01:02:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02254030
Frequency0.5
Structure
Chemical FormulaC11H16N2
Molecular Mass176.1313
SMILESCC(CN)N1CCc2ccccc21
InChI KeyNPLIBYPKABRYCL-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
  • dialkylarylamines
  • hydrocarbon derivatives
  • monoalkylamines
  • organopnictogen compounds
    • Substituents
  • azacycle
  • indole
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • dialkylarylamine
  • amine
  • tertiary amine