| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:17 UTC |
|---|
| Update Date | 2025-03-25 00:54:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02204203 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12OS |
|---|
| Molecular Mass | 180.0609 |
|---|
| SMILES | c1ccc(CC2CCSO2)cc1 |
|---|
| InChI Key | IMVDETIWKVCXJW-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 heteromonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganooxygen compoundsoxacyclic compoundsoxathiolanes |
|---|
| Substituents | oxacyclemonocyclic benzene moietyorganic oxygen compoundoxathiolanearomatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
|---|
