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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:41 UTC
Update Date2025-03-25 00:54:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207363
Frequency0.5
Structure
Chemical FormulaC13H18N2O10S
Molecular Mass394.0682
SMILESNc1ccc(O)cc1C(=O)NC1C(O)OC(COS(=O)(=O)O)C(O)C1O
InChI KeyIQTCAIBQYBBPHN-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
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 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 amines
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • benzamide
  • n-acyl-alpha-hexosamine
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • vinylogous amide
  • organic sulfuric acid or derivatives
  • benzoic acid or derivatives
  • carboxamide group
  • acylaminosugar
  • oxacycle
  • secondary carboxylic acid amide
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • sulfuric acid ester
  • amine