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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:50 UTC
Update Date2025-03-25 00:53:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203149
Frequency0.5
Structure
Chemical FormulaC15H11NO3S
Molecular Mass285.046
SMILESO=C(O)CC1=Nc2ccccc2Sc2cc(O)ccc21
InChI KeyCALCXWZVHZSHIU-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
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • diarylthioethers
  • hydrocarbon derivatives
  • ketimines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • carbonyl group
  • carboxylic acid
  • imine
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • dibenzothiazepine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • diarylthioether
  • azacycle
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound