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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:46 UTC
Update Date2025-03-25 00:57:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226094
Frequency0.5
Structure
Chemical FormulaC13H16N2O5S
Molecular Mass312.078
SMILESCC(=O)NCCc1cn(C)c2c(OS(=O)(=O)O)cccc12
InChI KeyNIEIGGQDALJUAD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass n-alkylindoles
Direct Parent n-alkylindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • arylsulfates
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • n-methylpyrroles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • substituted pyrroles
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • n-methylpyrrole
  • n-alkylindole
  • indole
  • substituted pyrrole
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • acetamide
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrrole
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound