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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:59 UTC
Update Date2025-03-21 18:36:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00110334
Frequency24.2
Structure
Chemical FormulaC12H13NO6S
Molecular Mass299.0464
SMILESO=C(CCc1c[nH]c2ccccc12)OCOS(=O)(=O)O
InChI KeyPDPXQQMMSPYLFD-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 acid esters
  • fatty acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • sulfuric acid monoesters
    • Substituents
  • fatty acyl
  • sulfuric acid monoester
  • carbonyl group
  • indole
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • pyrrole
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound