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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:42 UTC
Update Date2025-03-25 00:53:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202850
Frequency0.5
Structure
Chemical FormulaC12H13NO3
Molecular Mass219.0895
SMILESO=C1CCC2Cc3cc(O)c(O)cc3CN12
InChI KeyBDEBLFRHPAPSEW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • azacycle
  • n-alkylpyrrolidine
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • organooxygen compound