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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:30 UTC
Update Date2025-03-25 00:47:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159109
Frequency0.5
Structure
Chemical FormulaC9H10O3S
Molecular Mass198.0351
SMILESOc1cc2c(cc1O)C(O)CSC2
InChI KeyVIEMGYDFLVTWHY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisothiochromanes
Subclass isothiochromanes
Direct Parent isothiochromanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-benzothiopyrans
  • benzenoids
  • dialkylthioethers
  • hydrocarbon derivatives
  • secondary alcohols
    • Substituents
  • alcohol
  • benzothiopyran
  • dialkylthioether
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • thioether
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • isothiochromane
  • 2-benzothiopyran
  • organooxygen compound