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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:21 UTC
Update Date2025-03-25 00:55:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02211399
Frequency0.5
Structure
Chemical FormulaC14H19NO9S
Molecular Mass377.0781
SMILESCC(=O)Nc1ccc(OC2CC(OS(=O)(=O)O)C(O)C(O)C2O)cc1
InChI KeyROKNAZGVCUEOGW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent acetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • alkyl aryl ethers
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • n-acetylarylamine
  • n-arylamide
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • alcohol
  • organic sulfuric acid or derivatives
  • acetanilide
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • carboxamide group
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound