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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:44 UTC
Update Date2025-03-25 00:46:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155244
Frequency0.5
Structure
Chemical FormulaC10H16NO+
Molecular Mass166.1226
SMILESCc1cc(O)ccc1[N+](C)(C)C
InChI KeyHKKSYDPAOWMBSD-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass cresols
Direct Parent meta cresols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • amines
  • aminotoluenes
  • aniline and substituted anilines
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organooxygen compounds
  • organopnictogen compounds
  • quaternary ammonium salts
  • p-aminophenols
    • Substituents
  • monocyclic benzene moiety
  • aminotoluene
  • m-cresol
  • aniline or substituted anilines
  • quaternary ammonium salt
  • aminophenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • p-aminophenol
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • toluene
  • amine
  • organooxygen compound