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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:25 UTC
Update Date2025-03-25 00:47:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158905
Frequency0.5
Structure
Chemical FormulaC11H12N2
Molecular Mass172.1
SMILESc1ccc2c(c1)CC1=NCCCN12
InChI KeyOPMBJPWFHPGNLA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • hydropyrimidines
  • imidolactams
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • 1,4,5,6-tetrahydropyrimidine
  • azacycle
  • indole
  • organic 1,3-dipolar compound
  • amidine
  • propargyl-type 1,3-dipolar organic compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • hydropyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • imidolactam