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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:39 UTC
Update Date2025-03-25 00:46:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157245
Frequency0.5
Structure
Chemical FormulaC11H10N2OS
Molecular Mass218.0514
SMILESO=C1CCC2Sc3ccccc3N=C2N1
InChI KeyNFKGKBBEAMOTQU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazines
Subclass benzothiazines
Direct Parent benzothiazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-thiazines
  • alkylarylthioethers
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • delta lactams
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • piperidinones
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • para-thiazine
  • azacycle
  • benzothiazine
  • organic 1,3-dipolar compound
  • alkylarylthioether
  • carboxylic acid derivative
  • aryl thioether
  • delta-lactam
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • piperidinone
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • piperidine
  • organooxygen compound