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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:40:46 UTC
Update Date2025-03-21 17:58:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00017056
Frequency248.6
Structure
Chemical FormulaC11H15NO3
Molecular Mass209.1052
SMILESCN1CCc2cc(O)c(O)cc2C1CO
InChI KeySTGAEYZMDNHPPH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1-hydroxy-2-unsubstituted benzenoids
  • aralkylamines
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary alcohols
  • trialkylamines
    • Substituents
  • alcohol
  • azacycle
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aralkylamine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • primary alcohol
  • amine
  • tertiary amine
  • organooxygen compound