Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:05:23 UTC
Update Date2025-03-24 22:29:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01216089
Frequency1.1
Structure
Chemical FormulaC7H12OS
Molecular Mass144.0609
SMILESOC1C=CC(CS)CC1
InChI KeyGHNRQABFRCPVPG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • alkylthiols
  • hydrocarbon derivatives
  • organosulfur compounds
  • Substituents
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organosulfur compound
  • alkylthiol