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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:49 UTC
Update Date2025-03-25 01:01:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251300
Frequency0.5
Structure
Chemical FormulaC13H15N3O
Molecular Mass229.1215
SMILESOC(CCNc1cccnc1)c1cccnc1
InChI KeyGANFXJDQDGFZEF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • secondary aliphatic/aromatic amine
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound