| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:48 UTC |
|---|
| Update Date | 2025-03-21 18:03:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00042830 |
|---|
| Frequency | 79.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O2S |
|---|
| Molecular Mass | 196.0558 |
|---|
| SMILES | C=CCS(=O)(=O)c1ccc(C)cc1 |
|---|
| InChI Key | QTTZZUJXQPUOTF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | toluenes |
|---|
| Direct Parent | tosyl compounds |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | allyl sulfur compoundsbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidessulfones |
|---|
| Substituents | tosyl compoundallyl sulfur compoundorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundhydrocarbon derivativesulfonebenzenesulfonyl group |
|---|
