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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:14 UTC
Update Date2025-03-25 00:54:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204054
Frequency0.5
Structure
Chemical FormulaC17H17NO2
Molecular Mass267.1259
SMILESOC1=NC(C(O)Cc2ccccc2)Cc2ccccc21
InChI KeyJBYNYQLPEWOOON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydroisoquinolines
Subclass dihydroisoquinolines
Direct Parent dihydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • dihydroisoquinoline
  • azacycle
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound