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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:31 UTC
Update Date2025-03-21 18:07:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068171
Frequency44.5
Structure
Chemical FormulaC13H17N2O2S+
Molecular Mass265.1005
SMILESCc1c(CCO)sc[n+]1Cc1cccc(O)c1N
InChI KeyZZLHQUVJNRAVBX-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent 4,5-disubstituted thiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alcohols and polyols
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organopnictogen compounds
  • primary amines
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 4,5-disubstituted 1,3-thiazole
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • organic cation
  • amine
  • organooxygen compound