Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:34 UTC
Update Date2025-03-25 00:48:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166050
Frequency0.5
Structure
Chemical FormulaC9H10OS
Molecular Mass166.0452
SMILESCC1CSc2cc(O)ccc21
InChI KeyWCEGWTIZOGVMMJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass aryl thioethers
Direct Parent aryl thioethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkylarylthioethers
  • benzenoids
  • hydrocarbon derivatives
  • organoheterocyclic compounds
  • organooxygen compounds
  • Substituents
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • hydrocarbon derivative
  • benzenoid
  • alkylarylthioether
  • aryl thioether
  • organoheterocyclic compound
  • organooxygen compound