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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:53 UTC
Update Date2025-03-21 18:39:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126784
Frequency20.2
Structure
Chemical FormulaC8H11NO7S
Molecular Mass265.0256
SMILESNCC(O)c1cc(O)c(OS(=O)(=O)O)cc1O
InChI KeyWWDDXWDQUXNADG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass arylsulfates
Direct Parent phenylsulfates
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aromatic alcohols
  • hydrocarbon derivatives
  • hydroquinones
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • 1-hydroxy-2-unsubstituted benzenoid
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • hydroquinone
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound