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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:56 UTC
Update Date2025-03-21 18:32:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00093049
Frequency30.0
Structure
Chemical FormulaC8H11NO2
Molecular Mass153.079
SMILESCc1ccc(O)c(CN)c1O
InChI KeyYCXAPYVPCVPPMF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • ortho cresols
  • para cresols
  • toluenes
    • Substituents
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • resorcinol
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • p-cresol
  • o-cresol
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • toluene
  • organooxygen compound