Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:04 UTC
Update Date2025-03-21 18:38:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00120132
Frequency21.6
Structure
Chemical FormulaC9H14OS
Molecular Mass170.0765
SMILESCC(=O)CCC1=C(C)CCS1
InChI KeyMNFNHEPYZUEJDP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrothiophenes
Subclass dihydrothiophenes
Direct Parent dihydrothiophenes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • thioenol ethers
  • Substituents
  • ketone
  • carbonyl group
  • organic oxide
  • thioenolether
  • organic oxygen compound
  • 2,3-dihydrothiophene
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound