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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:15 UTC
Update Date2025-03-25 00:59:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236171
Frequency0.5
Structure
Chemical FormulaC11H12O6S
Molecular Mass272.0355
SMILESCOc1cc(CC(SC(=O)O)C(=O)O)ccc1O
InChI KeySAUJLSSCPYNSSL-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
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organic thiocarbonic acid derivatives
  • phenoxy compounds
  • sulfenyl compounds
  • thiolactones
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • thiocarbonic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • thiolactone
  • carbonic acid derivative
  • sulfenyl compound
  • methoxybenzene
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound