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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:37 UTC
Update Date2025-03-21 18:34:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102048
Frequency26.7
Structure
Chemical FormulaC6H7NO2
Molecular Mass125.0477
SMILESNc1cc(O)cc(O)c1
InChI KeyPDCMTKJRBAZZHL-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
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
    • Substituents
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • resorcinol
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound