Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:50 UTC
Update Date2025-03-21 18:41:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00135965
Frequency18.4
Structure
Chemical FormulaC11H14N2O3S
Molecular Mass254.0725
SMILESCN(CCc1c[nH]c2ccccc12)S(=O)(=O)O
InChI KeyLFJBGOKJPQBSNE-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • sulfuric acid monoamides
  • Substituents
  • organic sulfuric acid or derivatives
  • azacycle
  • indole
  • heteroaromatic compound
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • sulfuric acid monoamide
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound