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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:48 UTC
Update Date2025-03-25 00:55:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02210043
Frequency0.5
Structure
Chemical FormulaC12H13NO3S
Molecular Mass251.0616
SMILESCC(O)C(O)C(=O)C1=Nc2ccccc2SC1
InChI KeyFJZSMBXKRVXYHY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazines
Subclass benzothiazines
Direct Parent benzothiazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1,4-thiazines
  • acyloins
  • alkylarylthioethers
  • azacyclic compounds
  • benzenoids
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • ketimines
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • beta-hydroxy ketone
  • ketimine
  • carbonyl group
  • imine
  • monosaccharide
  • benzothiazine
  • alkylarylthioether
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1,2-diol
  • alcohol
  • para-thiazine
  • azacycle
  • organic 1,3-dipolar compound
  • organic oxygen compound
  • thioether
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound