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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:07 UTC
Update Date2025-03-25 00:54:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208385
Frequency0.5
Structure
Chemical FormulaC13H21NO5S
Molecular Mass303.114
SMILESCC(C)NCC(O)COc1ccc(OS(C)(=O)=O)cc1
InChI KeyUDPBMZPLFLIUTB-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
  • hydrocarbon derivatives
  • methanesulfonates
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acid esters
  • phenoxy compounds
  • secondary alcohols
  • sulfonic acid esters
  • sulfonyls
    • Substituents
  • phenol ether
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • organosulfur compound
  • sulfonic acid ester
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • secondary aliphatic amine
  • secondary amine
  • organosulfonic acid ester
  • aromatic homomonocyclic compound
  • methanesulfonate
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine