Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:00:31 UTC
Update Date2025-03-21 18:06:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00063348
Frequency48.8
Structure
Chemical FormulaC11H16OS
Molecular Mass196.0922
SMILESCSC=C(C)CC1=C(C)CCC1=O
InChI KeyZMROEYSPCKUXDX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass thioenol ethers
Direct Parent thioenol ethers
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • sulfenyl compounds
  • Substituents
  • ketone
  • carbonyl group
  • organic oxide
  • thioenolether
  • organic oxygen compound
  • sulfenyl compound
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic ketone
  • organooxygen compound