| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:26 UTC |
|---|
| Update Date | 2025-03-25 00:49:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02177230 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O3S |
|---|
| Molecular Mass | 188.0507 |
|---|
| SMILES | Cc1ccc(CCS(C)(=O)=O)o1 |
|---|
| InChI Key | FLVNVXGRVIJMIA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | furans |
|---|
| Subclass | furans |
|---|
| Direct Parent | furans |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | heteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundssulfones |
|---|
| Substituents | furanaromatic heteromonocyclic compoundheteroaromatic compoundorganosulfur compoundoxacycleorganic oxidesulfonylorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundsulfone |
|---|
