Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:19:20 UTC
Update Date2025-03-21 23:13:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00672754
Frequency2.3
Structure
Chemical FormulaC7H10OS
Molecular Mass142.0452
SMILESCC1=CC(=O)CSCC1
InChI KeyHWKXPSGBIQWFOD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclic ketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • organoheterocyclic compounds
  • Substituents
  • organic oxide
  • thioether
  • dialkylthioether
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • cyclic ketone
  • organoheterocyclic compound