Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:14 UTC
Update Date2025-03-21 18:35:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105990
Frequency25.5
Structure
Chemical FormulaC15H15N3O4S
Molecular Mass333.0783
SMILESCOc1ccnc(CS(=O)(=O)c2nc3ccccc3[nH]2)c1OC
InChI KeyIZDVVRQVAMGXSN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass sulfinylbenzimidazoles
Direct Parent sulfinylbenzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • methylpyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • sulfones
  • Substituents
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • sulfinylbenzimidazole
  • organosulfur compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • azole
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • sulfonyl
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • sulfone