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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:34 UTC
Update Date2025-03-21 18:35:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106850
Frequency25.2
Structure
Chemical FormulaC11H14N2O4S
Molecular Mass270.0674
SMILESCOc1ccc2[nH]cc(CCNS(=O)(=O)O)c2c1
InChI KeyUHNVBVQJJLCCRG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • sulfuric acid monoamides
    • Substituents
  • phenol ether
  • ether
  • organic sulfuric acid or derivatives
  • azacycle
  • indole
  • heteroaromatic compound
  • alkyl aryl ether
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • pyrrole
  • organonitrogen compound
  • sulfuric acid monoamide
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound