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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:47 UTC
Update Date2025-03-25 00:59:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237374
Frequency0.5
Structure
Chemical FormulaC16H20N2O12S2
Molecular Mass496.0458
SMILESO=C(Cc1c[nH]c2ccccc12)NC1OC(COS(=O)(=O)O)C(O)C(OS(=O)(=O)O)C1O
InChI KeyXQYDSFWFAPFTRK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl sulfates
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyrroles
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • indole
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • alcohol
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound