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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:48:28 UTC
Update Date2025-03-24 14:35:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00886722
Frequency1.6
Structure
Chemical FormulaC8H11N2+
Molecular Mass135.0917
SMILESc1cc[n+]2c(c1)NCCC2
InChI KeyWJEHYVLQWVIEJM-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organopnictogen compounds
  • pyridines and derivatives
    • Substituents
  • azacycle
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • pyridine
  • aromatic heteropolycyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic cation
  • organoheterocyclic compound