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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:32 UTC
Update Date2025-03-21 18:36:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111628
Frequency23.8
Structure
Chemical FormulaC14H21N3
Molecular Mass231.1735
SMILESNCCCCCNCc1c[nH]c2ccccc12
InChI KeyQGJUXXJMYCFOCR-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
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • secondary aliphatic amine
  • azacycle
  • indole
  • heteroaromatic compound
  • secondary amine
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • amine