| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:46:48 UTC |
|---|
| Update Date | 2025-03-25 00:48:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02171118 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O3S |
|---|
| Molecular Mass | 198.0351 |
|---|
| SMILES | COS(=O)(=O)C=Cc1ccccc1 |
|---|
| InChI Key | FSMDHYUPDKNFEI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acid esterssulfonic acid esterssulfonyls |
|---|
| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyorganosulfur compoundorganosulfonic acid esteraromatic homomonocyclic compoundsulfonic acid esterorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
