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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:20 UTC
Update Date2025-03-25 00:46:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156541
Frequency0.5
Structure
Chemical FormulaC15H13NO3S
Molecular Mass287.0616
SMILESO=C1CC(c2ccc(O)cc2)Sc2ccccc2N1O
InChI KeyOCEYBPKAGIYLRZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass benzothiazepines
Direct Parent benzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkylarylthioethers
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxamic acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkylarylthioether
  • carboxylic acid derivative
  • aryl thioether
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • benzothiazepine
  • organic nitrogen compound
  • hydroxamic acid
  • organooxygen compound