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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:19 UTC
Update Date2025-03-25 00:50:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179219
Frequency0.5
Structure
Chemical FormulaC11H14OS
Molecular Mass194.0765
SMILESOc1ccc(C2CCCCS2)cc1
InChI KeyQPAGEXJZRHLTED-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • dialkylthioethers
  • hydrocarbon derivatives
  • organooxygen compounds
  • thianes
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • dialkylthioether
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound
  • thiane