Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:59 UTC
Update Date2025-03-25 00:57:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222151
Frequency0.5
Structure
Chemical FormulaC9H10OS2
Molecular Mass198.0173
SMILESOc1ccccc1C1SCCS1
InChI KeyBDTJZIUGKIQWPI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dithiolanes
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • dialkylthioethers
  • dithioacetals
  • hydrocarbon derivatives
  • organooxygen compounds
  • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • dialkylthioether
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • organic oxygen compound
  • dithiolane
  • thioether
  • hydrocarbon derivative
  • thioacetal
  • 1,3-dithiolane
  • organoheterocyclic compound
  • organooxygen compound