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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:14 UTC
Update Date2025-03-21 18:41:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00134577
Frequency18.7
Structure
Chemical FormulaC11H13NO7S
Molecular Mass303.0413
SMILESCC(=O)Nc1ccc(CCC(=O)O)cc1OS(=O)(=O)O
InChI KeyBSQGLBXXDVMIHD-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
  • acetamides
  • acetanilides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • phenylsulfates
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • n-acetylarylamine
  • 3-phenylpropanoic-acid
  • n-arylamide
  • carboxylic acid derivative
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • acetamide
  • organic sulfuric acid or derivatives
  • acetanilide
  • carboxamide group
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound