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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:38:29 UTC
Update Date2025-03-21 17:58:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00011959
Frequency383.4
Structure
Chemical FormulaC12H13NO5S
Molecular Mass283.0514
SMILESO=C(CCCc1c[nH]c2ccccc12)OS(=O)(=O)O
InChI KeyXPWRYSFEYJQZPC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • organic sulfuric acid or derivatives
  • azacycle
  • indole
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound