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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:07 UTC
Update Date2025-03-25 00:55:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213215
Frequency0.5
Structure
Chemical FormulaC13H19NO6S
Molecular Mass317.0933
SMILESCN1CC(O)CCC1Cc1ccc(O)c(OS(=O)(=O)O)c1
InChI KeyYHWNAZXWNZQXKJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass benzylpiperidines
Direct Parent 2-benzylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • phenylsulfates
  • secondary alcohols
  • sulfuric acid monoesters
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • 2-benzylpiperidine
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • tertiary amine
  • alcohol
  • organic sulfuric acid or derivatives
  • azacycle
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • amine
  • organooxygen compound