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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:38 UTC
Update Date2025-03-21 18:05:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00054219
Frequency59.4
Structure
Chemical FormulaC18H16N2O2S
Molecular Mass324.0932
SMILESO=C(O)C1CCCN1C1=Nc2ccccc2Sc2ccccc21
InChI KeyOALGTZXGGMGUMA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • amidines
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • diarylthioethers
  • hydrocarbon derivatives
  • imidolactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • proline and derivatives
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolidine carboxylic acids
    • Substituents
  • carbonyl group
  • carboxylic acid
  • alpha-amino acid or derivatives
  • amidine
  • carboxylic acid derivative
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • dibenzothiazepine
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • pyrrolidine
  • imidolactam
  • diarylthioether
  • proline or derivatives
  • azacycle
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound