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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:11 UTC
Update Date2025-03-25 00:46:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158404
Frequency0.5
Structure
Chemical FormulaC13H13NO2
Molecular Mass215.0946
SMILESOCC(c1ccc(O)cc1)c1ccccn1
InChI KeyYZXKJQPEXXGPIK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • pyridine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound