| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:16 UTC |
|---|
| Update Date | 2025-03-25 00:50:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02183666 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O2S |
|---|
| Molecular Mass | 220.0558 |
|---|
| SMILES | O=C1OCC2C1CSC2c1ccccc1 |
|---|
| InChI Key | MVYWVWDQEBHPII-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | lactones |
|---|
| Subclass | gamma butyrolactones |
|---|
| Direct Parent | gamma butyrolactones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid estersdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofuransthiolanes |
|---|
| Substituents | thiolanemonocyclic benzene moietycarbonyl grouptetrahydrofurandialkylthioethercarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundthioethercarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
