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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:23 UTC
Update Date2025-03-25 00:47:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158853
Frequency0.5
Structure
Chemical FormulaC13H11NO3
Molecular Mass229.0739
SMILESOc1ccc(N=Cc2ccccc2O)c(O)c1
InChI KeyRMXMNIOCMCVOAJ-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
  • aldimines
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • imine
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • resorcinol
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • aldimine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound