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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:01 UTC
Update Date2025-03-25 00:48:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02167099
Frequency0.5
Structure
Chemical FormulaC17H16O4S
Molecular Mass316.0769
SMILESCC(C(=O)O)c1ccc(CSc2ccc(C(=O)O)cc2)cc1
InChI KeyYVXNGXRMDZZOBB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkylarylthioethers
  • aromatic monoterpenoids
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • p-sulfanylbenzoic acids
  • sulfenyl compounds
  • thiophenol ethers
  • thiophenols
    • Substituents
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • benzoyl
  • p-cymene
  • alkylarylthioether
  • organosulfur compound
  • carboxylic acid derivative
  • aryl thioether
  • organic oxide
  • thiophenol
  • 2-phenylpropanoic-acid
  • thiophenol ether
  • benzoic acid
  • sulfenyl compound
  • benzoic acid or derivatives
  • p-sulfanylbenzoic acid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • p-sulfanylbenzoic acid or derivatives
  • thioether
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid