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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:03 UTC
Update Date2025-03-25 00:47:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162557
Frequency0.5
Structure
Chemical FormulaC17H15NO3S
Molecular Mass313.0773
SMILESO=C(O)CC(O)CC1=Nc2ccccc2Sc2ccccc21
InChI KeyQDTMGSBOBHJOMY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • diarylthioethers
  • hydrocarbon derivatives
  • ketimines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • ketimine
  • carbonyl group
  • carboxylic acid
  • imine
  • carboxylic acid derivative
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • dibenzothiazepine
  • beta-hydroxy acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • diarylthioether
  • alcohol
  • azacycle
  • organic 1,3-dipolar compound
  • hydroxy acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound