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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:26 UTC
Update Date2025-03-21 18:39:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125676
Frequency20.4
Structure
Chemical FormulaC12H16NO2+
Molecular Mass206.1176
SMILESC[N+]1(C)CCc2ccccc2C1C(=O)O
InChI KeyUSUFVOYHAPRJJA-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • aralkylamines
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
    • Substituents
  • carbonyl group
  • carboxylic acid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • aralkylamine
  • organic oxide
  • aromatic heteropolycyclic compound
  • alpha-amino acid
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • organic cation
  • organic salt
  • tetraalkylammonium salt
  • azacycle
  • quaternary ammonium salt
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound