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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:40 UTC
Update Date2025-03-21 18:02:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00037790
Frequency93.0
Structure
Chemical FormulaC11H16NO2+
Molecular Mass194.1176
SMILESC[N+]1(C)CCc2cc(O)c(O)cc2C1
InChI KeyBQRIKFLUSSWVLE-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aralkylamines
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organooxygen compounds
  • organopnictogen compounds
  • tetraalkylammonium salts
    • Substituents
  • tetraalkylammonium salt
  • azacycle
  • quaternary ammonium salt
  • 1-hydroxy-2-unsubstituted benzenoid
  • aralkylamine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound