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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:17 UTC
Update Date2025-03-25 00:54:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204190
Frequency0.5
Structure
Chemical FormulaC14H13NO3
Molecular Mass243.0895
SMILESOc1ccc(C2(O)CNc3cc(O)ccc32)cc1
InChI KeyOYORMEYPSVVQFQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • indolines
  • organopnictogen compounds
  • secondary alkylarylamines
  • tertiary alcohols
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • azacycle
  • indole
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • secondary aliphatic/aromatic amine
  • tertiary alcohol
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • dihydroindole
  • amine
  • organooxygen compound