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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:46 UTC
Update Date2025-03-21 18:38:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00121819
Frequency39.2
Structure
Chemical FormulaC17H19N3O4S
Molecular Mass361.1096
SMILESCOc1cc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2cc1O
InChI KeyASAWDGZSKVMNKB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass sulfinylbenzimidazoles
Direct Parent sulfinylbenzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-halopyridines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidazoles
  • methylpyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • sulfinyl compounds
  • sulfoxides
    • Substituents
  • phenol ether
  • ether
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • sulfinylbenzimidazole
  • organosulfur compound
  • organic oxide
  • sulfinyl compound
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • azole
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • pyridine
  • organic oxygen compound
  • anisole
  • sulfoxide
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound