| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:37 UTC |
|---|
| Update Date | 2025-03-25 01:01:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02250820 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O5S |
|---|
| Molecular Mass | 268.0405 |
|---|
| SMILES | O=C(O)CC(SC(=O)Cc1ccccc1)C(=O)O |
|---|
| InChI Key | SLHWSKBOJUMJTQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | thia fatty acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarbothioic s-esterscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic oxidessulfenyl compoundsthioestersthiolactones |
|---|
| Substituents | monocyclic benzene moietythiocarboxylic acid or derivativescarbonyl groupcarboxylic acidsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxylic acid derivativecarbothioic s-esteraromatic homomonocyclic compoundorganic oxidethia fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidthiolactoneorganooxygen compound |
|---|
