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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:41 UTC
Update Date2025-03-25 00:46:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157325
Frequency0.5
Structure
Chemical FormulaC18H15NO2
Molecular Mass277.1103
SMILESO=C1Nc2ccccc2C1=C1CCCc2cc(O)ccc21
InChI KeyIMOJRRXJJBVNDI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • indoles
  • indolines
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • tetralin
  • carbonyl group
  • lactam
  • azacycle
  • indole
  • 1-hydroxy-2-unsubstituted benzenoid
  • indole or derivatives
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • dihydroindole
  • organoheterocyclic compound
  • organooxygen compound