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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:07 UTC
Update Date2025-03-25 00:46:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156060
Frequency0.5
Structure
Chemical FormulaC11H15NO3S
Molecular Mass241.0773
SMILESCSCCC(O)C(O)=Nc1ccccc1O
InChI KeyVXQZMAXIBGGJQF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carboximidic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • sulfenyl compounds
    • Substituents
  • alcohol
  • carboximidic acid
  • monocyclic benzene moiety
  • sulfenyl compound
  • dialkylthioether
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • thioether
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound