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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:35 UTC
Update Date2025-03-21 18:35:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106904
Frequency25.2
Structure
Chemical FormulaC13H21NO5S
Molecular Mass303.114
SMILESCOCCc1ccc(OCC(O)CNS(C)(=O)=O)cc1
InChI KeyNQFZGUMGPLUXLA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass tyrosols and derivatives
Direct Parent tyrosols and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aminosulfonyl compounds
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • organic sulfonamides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • phenol ether
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • organosulfur compound
  • dialkyl ether
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • tyrosol derivative
  • alcohol
  • aminosulfonyl compound
  • aromatic homomonocyclic compound
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organic sulfonic acid amide
  • organooxygen compound