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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:51 UTC
Update Date2025-03-25 00:49:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175870
Frequency0.5
Structure
Chemical FormulaC13H15NO2
Molecular Mass217.1103
SMILESCc1ccc2c(c1)CCN=C2CCC(=O)O
InChI KeyMOHOZIWFSDJHOD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydroisoquinolines
Subclass dihydroisoquinolines
Direct Parent dihydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • ketimines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • carbonyl group
  • carboxylic acid
  • dihydroisoquinoline
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound