| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:24 UTC |
|---|
| Update Date | 2025-03-25 00:46:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02156695 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O2S |
|---|
| Molecular Mass | 194.0402 |
|---|
| SMILES | O=C1CCC(Sc2ccccc2)O1 |
|---|
| InChI Key | UKAPFTUYCXOKKW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organosulfur compounds |
|---|
| Class | thioethers |
|---|
| Subclass | aryl thioethers |
|---|
| Direct Parent | aryl thioethers |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssulfenyl compoundstetrahydrofurans |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupsulfenyl compoundaromatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativearyl thioethergamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
|---|
