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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:32 UTC
Update Date2025-03-25 00:46:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154760
Frequency0.5
Structure
Chemical FormulaC11H15NO2S
Molecular Mass225.0824
SMILESCOc1cc2c(cc1O)CN(C)CCS2
InChI KeyODPFHTUSXSPFMP-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
  • alkyl aryl ethers
  • alkylarylthioethers
  • anisoles
  • aralkylamines
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • phenol ether
  • ether
  • azacycle
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • alkylarylthioether
  • aralkylamine
  • aryl thioether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • thioether
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • benzothiazepine
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound