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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:07 UTC
Update Date2025-03-25 00:57:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226871
Frequency0.5
Structure
Chemical FormulaC12H16OS
Molecular Mass208.0922
SMILESCC(C)CC1COc2ccccc2S1
InChI KeyOUNKGNBFNMQSRA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass aryl thioethers
Direct Parent aryl thioethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alkylarylthioethers
  • benzenoids
  • benzoxathiins
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxathiins
    • Substituents
  • ether
  • alkyl aryl ether
  • alkylarylthioether
  • aryl thioether
  • oxacycle
  • organic oxygen compound
  • 1,4-benzooxathiin
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound
  • 1,4-oxathiin