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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:50 UTC
Update Date2025-03-25 01:01:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251309
Frequency0.5
Structure
Chemical FormulaC15H15NO2
Molecular Mass241.1103
SMILESOc1ccc(N2CCc3ccc(O)cc3C2)cc1
InChI KeySNTFRNRYIFARBK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aniline and substituted anilines
  • aralkylamines
  • azacyclic compounds
  • dialkylarylamines
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • p-aminophenols
  • Substituents
  • monocyclic benzene moiety
  • azacycle
  • aniline or substituted anilines
  • aminophenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • aralkylamine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • p-aminophenol
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • dialkylarylamine
  • amine
  • tertiary amine
  • organooxygen compound