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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:38 UTC
Update Date2025-03-21 18:07:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068480
Frequency44.2
Structure
Chemical FormulaC9H11NO5S
Molecular Mass245.0358
SMILESCS(=O)(=O)Oc1ccccc1NC(=O)CO
InChI KeyBBLVZYVBPZLKLU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent anilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • methanesulfonates
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acid esters
  • phenoxy compounds
  • secondary carboxylic acid amides
  • sulfonic acid esters
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • carbonyl group
  • n-arylamide
  • organosulfur compound
  • carboxylic acid derivative
  • sulfonic acid ester
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • carboxamide group
  • organosulfonic acid ester
  • aromatic homomonocyclic compound
  • anilide
  • methanesulfonate
  • secondary carboxylic acid amide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound