Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:20 UTC
Update Date2025-03-21 18:39:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125446
Frequency20.5
Structure
Chemical FormulaC10H12OS
Molecular Mass180.0609
SMILESCOc1ccc(C=CSC)cc1
InChI KeyPQRBGLYZJRHKSB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • phenoxy compounds
  • sulfenyl compounds
  • thioenol ethers
  • Substituents
  • monocyclic benzene moiety
  • ether
  • sulfenyl compound
  • alkyl aryl ether
  • organosulfur compound
  • methoxybenzene
  • aromatic homomonocyclic compound
  • thioenolether
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound