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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:16 UTC
Update Date2025-03-25 01:00:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02240729
Frequency0.5
Structure
Chemical FormulaC10H11NO5S
Molecular Mass257.0358
SMILESCC(=O)Nc1ccc(S(=O)O)cc1OC(C)=O
InChI KeyQUDZZCAAPPTOJS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol esters
Subclass phenol esters
Direct Parent phenol esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • acetanilides
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • organosulfur compounds
  • phenoxy compounds
  • secondary carboxylic acid amides
  • sulfinic acids
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • n-acetylarylamine
  • sulfinic acid derivative
  • n-arylamide
  • organosulfur compound
  • carboxylic acid derivative
  • sulfinic acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • acetanilide
  • carboxamide group
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenol ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound