| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:10:10 UTC |
|---|
| Update Date | 2025-03-21 18:31:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00086483 |
|---|
| Frequency | 33.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12OS |
|---|
| Molecular Mass | 168.0609 |
|---|
| SMILES | Cc1ccc(CS(C)=O)cc1 |
|---|
| InChI Key | IXNBKMQDVLBRIN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzyl sulfoxides |
|---|
| Direct Parent | benzyl alkyl sulfoxides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxidessulfinyl compoundssulfoxidestoluenes |
|---|
| Substituents | organosulfur compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfinyl compoundsulfoxidehydrocarbon derivativetoluenebenzyl alkyl sulfoxide |
|---|
