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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:43 UTC
Update Date2025-03-25 00:54:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207441
Frequency0.5
Structure
Chemical FormulaC13H18N2O9S
Molecular Mass378.0733
SMILESNc1ccc(C(=O)NC2C(O)OC(CO)C(OS(=O)(=O)O)C2O)cc1
InChI KeyIDCXWIWGLHTMHX-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
  • alkyl sulfates
  • amino acids and derivatives
  • benzamides
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • n-acyl-alpha-hexosamines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • primary amines
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • benzoyl
  • monosaccharide
  • carboxylic acid derivative
  • benzamide
  • n-acyl-alpha-hexosamine
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • benzoic acid or derivatives
  • carboxamide group
  • acylaminosugar
  • oxacycle
  • secondary carboxylic acid amide
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • sulfuric acid ester
  • amine