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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:05 UTC
Update Date2025-03-25 00:49:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176406
Frequency0.5
Structure
Chemical FormulaC11H16N2O4S
Molecular Mass272.0831
SMILESNCC1CCN(c2ccc(OS(=O)(=O)O)cc2)C1
InChI KeyPJQCRRSGRGSWPH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aniline and substituted anilines
  • azacyclic compounds
  • dialkylarylamines
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • phenylsulfates
  • pyrroles
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • 1-phenylpyrrolidine
  • aromatic heteromonocyclic compound
  • phenylsulfate
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • dialkylarylamine
  • tertiary amine
  • organic sulfuric acid or derivatives
  • azacycle
  • aniline or substituted anilines
  • organic oxygen compound
  • pyrrole
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • amine
  • organooxygen compound