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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:29 UTC
Update Date2025-03-25 00:56:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220988
Frequency0.5
Structure
Chemical FormulaC16H15NO2
Molecular Mass253.1103
SMILESO=C(O)c1ccccc1C1NCCc2ccccc21
InChI KeyAEYNOVDONCJLHG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass 1-phenyltetrahydroisoquinolines
Direct Parent 1-phenyltetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • amino acids
  • azacyclic compounds
  • benzoic acids
  • benzoyl derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • monocyclic benzene moiety
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • benzoyl
  • carboxylic acid derivative
  • 1-phenyltetrahydroisoquinoline
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • secondary aliphatic amine
  • azacycle
  • benzoic acid or derivatives
  • secondary amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine