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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:17 UTC
Update Date2025-03-25 00:54:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204205
Frequency0.5
Structure
Chemical FormulaC16H14N2
Molecular Mass234.1157
SMILESc1ccc(CNc2cccc3ccccc23)nc1
InChI KeyVMCYTTMMYMHKOQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyridines and derivatives
  • secondary alkylarylamines
    • Substituents
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyridine
  • naphthalene
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • amine
  • organoheterocyclic compound