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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:56 UTC
Update Date2025-03-25 00:57:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222017
Frequency0.5
Structure
Chemical FormulaC19H13NOS
Molecular Mass303.0718
SMILESOc1ccc2c(c1)C(c1ccccc1)=Nc1ccccc1S2
InChI KeyCESCOPSGBJCHHT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • diarylthioethers
  • hydrocarbon derivatives
  • ketimines
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • monocyclic benzene moiety
  • azacycle
  • imine
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • dibenzothiazepine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • diarylthioether