| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:47:36 UTC |
|---|
| Update Date | 2025-03-25 00:49:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02172949 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12OS |
|---|
| Molecular Mass | 168.0609 |
|---|
| SMILES | CCC=CCC1SC=CC1=O |
|---|
| InChI Key | XJBLIAYMXPMLJI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | vinylogous thioesters |
|---|
| Subclass | vinylogous thioesters |
|---|
| Direct Parent | vinylogous thioesters |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | cyclic ketonesdihydrothiopheneshydrocarbon derivativesorganic oxidesthioenol ethers |
|---|
| Substituents | vinylogous thioestercarbonyl group2,3-dihydrothiophenecyclic ketoneketoneorganic oxidethioenoletherorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
|---|
