| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:55 UTC |
|---|
| Update Date | 2025-03-21 18:07:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00069158 |
|---|
| Frequency | 43.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O2S |
|---|
| Molecular Mass | 184.0558 |
|---|
| SMILES | Cc1ccc(C)c(S(C)(=O)=O)c1 |
|---|
| InChI Key | WDIWSBKKOOKBJR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonyl compounds |
|---|
| Direct Parent | benzenesulfonyl compounds |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxidessulfonesp-xylenes |
|---|
| Substituents | organosulfur compoundaromatic homomonocyclic compoundxyleneorganic oxidep-xylenesulfonylorganic oxygen compoundhydrocarbon derivativesulfonebenzenesulfonyl group |
|---|
