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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:24 UTC
Update Date2025-03-25 00:54:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206706
Frequency0.5
Structure
Chemical FormulaC14H12O3S
Molecular Mass260.0507
SMILESO=C(CSc1ccccc1)c1c(O)cccc1O
InChI KeyVDKSMSLBXCZOQL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkylarylthioethers
  • aryl alkyl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • resorcinols
  • sulfenyl compounds
  • thiophenol ethers
  • thiophenols
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkylarylthioether
  • organosulfur compound
  • aryl thioether
  • resorcinol
  • organic oxide
  • thiophenol
  • thiophenol ether
  • sulfenyl compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • thioether
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone