Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:48:06 UTC
Update Date2025-03-24 14:35:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00885847
Frequency1.6
Structure
Chemical FormulaC7H8OS
Molecular Mass140.0296
SMILESCc1ccc(S)c(O)c1
InChI KeySXLBJFAJTHUSQF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classthiophenols
Subclass thiophenols
Direct Parent thiophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • hydrocarbon derivatives
  • meta cresols
  • organooxygen compounds
  • thiols
  • toluenes
  • Substituents
  • monocyclic benzene moiety
  • m-cresol
  • 1-hydroxy-2-unsubstituted benzenoid
  • arylthiol
  • 1-hydroxy-4-unsubstituted benzenoid
  • organosulfur compound
  • aromatic homomonocyclic compound
  • thiophenol
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • toluene
  • organooxygen compound