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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:04 UTC
Update Date2025-03-25 00:51:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185456
Frequency0.5
Structure
Chemical FormulaC13H12N3O+
Molecular Mass226.0975
SMILESNc1ncccc1C[n+]1coc2ccccc21
InChI KeyPBVAEDDITATBLX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazoles
Subclass benzoxazoles
Direct Parent benzoxazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic cations
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxazoles
  • polyhalopyridines
  • primary amines
  • pyridines and derivatives
    • Substituents
  • azacycle
  • polyhalopyridine
  • benzoxazole
  • heteroaromatic compound
  • oxazole
  • oxacycle
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • 2-halopyridine
  • organic nitrogen compound
  • organic cation
  • imidolactam
  • amine
  • organooxygen compound
  • azole