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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:54 UTC
Update Date2025-03-25 00:58:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230759
Frequency0.5
Structure
Chemical FormulaC11H15NO5S
Molecular Mass273.0671
SMILESCN1CC(O)C(c2ccc(OS(=O)(=O)O)cc2)C1
InChI KeyUSHKMHRIOCEKHS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • azacyclic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • phenylsulfates
  • pyrroles
  • secondary alcohols
  • sulfuric acid monoesters
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • aromatic heteromonocyclic compound
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • tertiary amine
  • alcohol
  • organic sulfuric acid or derivatives
  • azacycle
  • n-alkylpyrrolidine
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • 3-phenylpyrrolidine
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • amine
  • organooxygen compound