| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:25 UTC |
|---|
| Update Date | 2025-03-25 00:56:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02218473 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14OS |
|---|
| Molecular Mass | 194.0765 |
|---|
| SMILES | Cc1ccccc1CCC(=O)CS |
|---|
| InChI Key | FLIIRNREWLRSTI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | toluenes |
|---|
| Direct Parent | toluenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkylthiolshydrocarbon derivativesketonesorganic oxidesorganosulfur compounds |
|---|
| Substituents | carbonyl grouporganosulfur compoundketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativetoluenealkylthiolorganooxygen compound |
|---|
