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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:26 UTC
Update Date2025-03-21 18:40:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130502
Frequency19.4
Structure
Chemical FormulaC12H9NOS
Molecular Mass215.0405
SMILESOc1ccc2c(c1)Nc1ccccc1S2
InChI KeyOJQOKLSLPLGDBX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazines
Subclass phenothiazines
Direct Parent phenothiazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-thiazines
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • diarylthioethers
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • secondary amines
    • Substituents
  • para-thiazine
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • aryl thioether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine
  • diarylthioether
  • phenothiazine