Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:31 UTC
Update Date2025-03-21 18:03:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00042135
Frequency81.2
Structure
Chemical FormulaC10H12S
Molecular Mass164.066
SMILESC=CCSCc1ccccc1
InChI KeyJEJKPKFDMNNGDH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • allyl sulfur compounds
  • dialkylthioethers
  • hydrocarbon derivatives
  • sulfenyl compounds
  • Substituents
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • sulfenyl compound
  • thioether
  • dialkylthioether
  • allyl sulfur compound
  • hydrocarbon derivative
  • organosulfur compound