| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:49 UTC |
|---|
| Update Date | 2025-03-25 01:01:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02248976 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8O3S |
|---|
| Molecular Mass | 184.0194 |
|---|
| SMILES | COc1ccc(SC(=O)O)cc1 |
|---|
| InChI Key | JJKOKFLDWIOPEU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | anisoles |
|---|
| Direct Parent | anisoles |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersaryl thioetherscarbonyl compoundshydrocarbon derivativesmethoxybenzenesorganic carbonic acids and derivativesorganic oxidesorganic thiocarbonic acid derivativesphenoxy compoundssulfenyl compoundsthiolactones |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupethercarbonic acid derivativesulfenyl compoundthiocarbonic acid derivativealkyl aryl etherorganosulfur compoundmethoxybenzenearyl thioetheraromatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundthiolactoneorganooxygen compound |
|---|
