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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:55 UTC
Update Date2025-03-25 00:57:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221992
Frequency0.5
Structure
Chemical FormulaC12H15NO3S
Molecular Mass253.0773
SMILESOc1ccc(CCC(O)C2=NCCS2)cc1O
InChI KeyRBZTXMTYIOQDOG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • thiazolines
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • meta-thiazoline
  • aromatic heteromonocyclic compound
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound