Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:14 UTC
Update Date2025-03-25 00:51:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190443
Frequency0.5
Structure
Chemical FormulaC9H12O2S
Molecular Mass184.0558
SMILESCC(=O)C1=C(C)CSC1C(C)=O
InChI KeyUIZTVSGVRIYXKI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrothiophenes
Subclass dihydrothiophenes
Direct Parent dihydrothiophenes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • ketone
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • thioether
  • dialkylthioether
  • aliphatic heteromonocyclic compound
  • 2,5-dihydrothiophene
  • hydrocarbon derivative
  • organooxygen compound