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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:16 UTC
Update Date2025-03-21 18:36:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00113397
Frequency23.4
Structure
Chemical FormulaC18H21N3O4S
Molecular Mass375.1253
SMILESCOc1ccnc(CS(=O)c2nc3ccc(OC(C)C)cc3[nH]2)c1OC
InChI KeyBULVPOLQNUVTPO-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • methylpyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • polyhalopyridines
  • sulfinyl compounds
  • sulfoxides
    • Substituents
  • phenol ether
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • sulfinylbenzimidazole
  • organosulfur compound
  • organic oxide
  • sulfinyl compound
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • azole
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • pyridine
  • organic oxygen compound
  • sulfoxide
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound