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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:29 UTC
Update Date2025-03-21 18:40:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130607
Frequency19.4
Structure
Chemical FormulaC11H9NO6S
Molecular Mass283.0151
SMILESO=C(Nc1ccccc1OS(=O)(=O)O)c1ccco1
InChI KeyHKRRTIOLLBTZND-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent 2-furanilides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-heteroaryl carboxamides
  • carboxylic acids and derivatives
  • furoic acid and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phenoxy compounds
  • phenylsulfates
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • furan
  • sulfuric acid monoester
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • 2-heteroaryl carboxamide
  • phenylsulfate
  • organic oxide
  • 2-furanilide
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • organoheterocyclic compound
  • furoic acid or derivatives
  • organic sulfuric acid or derivatives
  • heteroaromatic compound
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound