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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:12 UTC
Update Date2025-03-25 00:46:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153962
Frequency0.5
Structure
Chemical FormulaC15H13NO2S
Molecular Mass271.0667
SMILESCOc1cccc(C2Sc3ccccc3NC2=O)c1
InChI KeyWOXSFRUAALAQTE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazines
Subclass benzothiazines
Direct Parent benzothiazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-thiazines
  • alkyl aryl ethers
  • alkylarylthioethers
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • methoxybenzenes
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • secondary carboxylic acid amides
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • lactam
  • benzothiazine
  • alkyl aryl ether
  • alkylarylthioether
  • carboxylic acid derivative
  • aryl thioether
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • para-thiazine
  • azacycle
  • carboxamide group
  • methoxybenzene
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound