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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:26 UTC
Update Date2025-03-25 00:57:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225386
Frequency0.5
Structure
Chemical FormulaC16H22N2O10S
Molecular Mass434.0995
SMILESCC(=O)Nc1ccccc1OC1C(O)C(COS(=O)(=O)O)OC(O)C1NC(C)=O
InChI KeyPUXAXUBNMVPDNY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent acylaminosugars
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • acetanilides
  • alkyl aryl ethers
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • n-acetylarylamines
  • n-acyl-alpha-hexosamines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • monosaccharide
  • n-arylamide
  • alkyl aryl ether
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • organic sulfuric acid or derivatives
  • acetanilide
  • carboxamide group
  • acylaminosugar
  • anilide
  • oxacycle
  • secondary carboxylic acid amide
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester