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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:08 UTC
Update Date2025-03-25 00:46:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156096
Frequency0.5
Structure
Chemical FormulaC12H19NO2S
Molecular Mass241.1136
SMILESCSCCNCC(O)COc1ccccc1
InChI KeyXAFMEYNQOINLSI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • dialkylamines
  • dialkylthioethers
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenoxy compounds
  • secondary alcohols
  • sulfenyl compounds
    • Substituents
  • alcohol
  • phenol ether
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • ether
  • sulfenyl compound
  • dialkylthioether
  • alkyl aryl ether
  • secondary amine
  • organosulfur compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • thioether
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine