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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:21:47 UTC
Update Date2025-03-25 00:40:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02113633
Frequency0.6
Structure
Chemical FormulaC7H8NO2+
Molecular Mass138.055
SMILESOc1ccc2[n+](c1)CCO2
InChI KeySNLCIZLMLCBGSU-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • ether
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organic cation
  • organooxygen compound