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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:42 UTC
Update Date2025-03-25 00:53:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198253
Frequency0.5
Structure
Chemical FormulaC16H17NO3
Molecular Mass271.1208
SMILESOc1cc(CNC2C=CC(O)C2O)cc2ccccc12
InChI KeyOSEQKWWEIGOASO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthols and derivatives
Direct Parent naphthols and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • secondary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • 1-naphthol
  • organic nitrogen compound
  • organooxygen compound
  • amine
  • 1,2-diol