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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:12 UTC
Update Date2025-03-25 01:00:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245273
Frequency0.5
Structure
Chemical FormulaC13H15NO2
Molecular Mass217.1103
SMILESCN1C2CC(C(=O)O)C1Cc1ccccc12
InChI KeyQXNLDDLKOHYUPS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • aralkylamines
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • pyrrolidine carboxylic acids
  • trialkylamines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • carboxylic acid derivative
  • aralkylamine
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound