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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:34:46 UTC
Update Date2025-03-21 17:56:44 UTC
HMDB IDHMDB0131144
Metabolite Identification
DeepMet IDDMID00003288
Name3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid
Frequency1790.8
Structure
Chemical FormulaC10H12O7S
Molecular Mass276.0304
SMILESCOc1ccc(CCC(=O)O)cc1OS(=O)(=O)O
InChI KeyQZIYZVFIROFZCV-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
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound