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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:21 UTC
Update Date2025-03-25 00:45:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151942
Frequency0.5
Structure
Chemical FormulaC16H12N2O3S
Molecular Mass312.0569
SMILESNC(C(=O)O)C(=O)C1=Nc2ccccc2Sc2ccccc21
InChI KeyUFIUSERRICJWFH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alpha amino acids
  • azacyclic compounds
  • benzenoids
  • beta-hydroxy ketones
  • beta-keto acids and derivatives
  • carboxylic acids
  • diarylthioethers
  • hydrocarbon derivatives
  • ketimines
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • beta-hydroxy ketone
  • ketimine
  • carbonyl group
  • carboxylic acid
  • imine
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • aryl thioether
  • beta-keto acid
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • dibenzothiazepine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • diarylthioether
  • azacycle
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • keto acid
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound