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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:01 UTC
Update Date2025-03-21 18:04:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00052817
Frequency61.5
Structure
Chemical FormulaC20H24N2O6S2
Molecular Mass452.1076
SMILESCOc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OS(=O)(=O)O)cc1
InChI KeyNHYBXZMLMKKLOY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass benzothiazepines
Direct Parent benzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alkyl sulfates
  • alkylarylthioethers
  • amino acids and derivatives
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • methoxybenzenes
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • sulfuric acid monoesters
  • tertiary carboxylic acid amides
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • lactam
  • amino acid or derivatives
  • alkyl aryl ether
  • alkylarylthioether
  • carboxylic acid derivative
  • aryl thioether
  • organic oxide
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • benzothiazepine
  • tertiary amine
  • organic sulfuric acid or derivatives
  • azacycle
  • tertiary aliphatic amine
  • carboxamide group
  • methoxybenzene
  • organic oxygen compound
  • thioether
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • amine
  • organooxygen compound