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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:17 UTC
Update Date2025-03-25 00:51:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185977
Frequency0.5
Structure
Chemical FormulaC10H11NO8S
Molecular Mass305.0205
SMILESO=C(CO)Nc1ccccc1C(=O)OCOS(=O)(=O)O
InChI KeyBWPKGRJWUGSYLY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent acylaminobenzoic acid and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkyl sulfates
  • anilides
  • benzoic acid esters
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
  • vinylogous amides
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • benzoyl
  • n-arylamide
  • benzoate ester
  • carboxylic acid derivative
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • vinylogous amide
  • acylaminobenzoic acid or derivatives
  • organic sulfuric acid or derivatives
  • carboxamide group
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound