| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 07:52:31 UTC |
|---|
| Update Date | 2025-03-24 22:24:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01184028 |
|---|
| Frequency | 1.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10OS |
|---|
| Molecular Mass | 142.0452 |
|---|
| SMILES | CC1=CC(=O)C(C)(C)S1 |
|---|
| InChI Key | NIIMRPBQSOPNNR-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 |
|---|
