| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:11:19 UTC |
|---|
| Update Date | 2025-03-25 00:57:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02227309 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O2S |
|---|
| Molecular Mass | 160.0558 |
|---|
| SMILES | C=CCS(=O)(=O)CC=CC |
|---|
| InChI Key | YNZIFVVEXAVFEO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organosulfur compounds |
|---|
| Class | sulfonyls |
|---|
| Subclass | sulfones |
|---|
| Direct Parent | sulfones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | allyl sulfur compoundshydrocarbon derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundorganic oxideorganic oxygen compoundallyl sulfur compoundhydrocarbon derivativesulfone |
|---|
