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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:31 UTC
Update Date2025-03-25 00:49:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177412
Frequency0.5
Structure
Chemical FormulaC14H12O2S
Molecular Mass244.0558
SMILESCc1ccc(Sc2ccccc2C(=O)O)cc1
InChI KeyMCORLFKRJJNYRD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass aryl thioethers
Direct Parent diarylthioethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • benzoic acids
  • benzoyl derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • o-sulfanylbenzoic acids
  • organic oxides
  • organooxygen compounds
  • sulfenyl compounds
  • thiophenol ethers
  • thiophenols
  • toluenes
  • vinylogous thioesters
    • Substituents
  • monocyclic benzene moiety
  • carboxylic acid
  • benzoyl
  • carboxylic acid derivative
  • organic oxide
  • thiophenol
  • o-sulfanylbenzoic acid
  • thiophenol ether
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • diarylthioether
  • vinylogous thioester
  • sulfenyl compound
  • benzoic acid or derivatives
  • o-sulfanylbenzoic acid or derivatives
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • toluene
  • organooxygen compound