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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:28 UTC
Update Date2025-03-21 18:39:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125750
Frequency20.4
Structure
Chemical FormulaC9H12O3S
Molecular Mass200.0507
SMILESOc1ccc(CC(O)CS)cc1O
InChI KeyCPCDPLJZHVADED-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
  • alkylthiols
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organosulfur compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • organosulfur compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • alkylthiol
  • organooxygen compound