| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:24 UTC |
|---|
| Update Date | 2025-03-25 00:54:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02206710 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O4S |
|---|
| Molecular Mass | 240.0456 |
|---|
| SMILES | O=C(CSCC(O)C(=O)O)c1ccccc1 |
|---|
| InChI Key | TXZNTMVINJHEQZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesaryl alkyl ketonesbenzoyl derivativescarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcoholssulfenyl compounds |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonealpha-hydroxy acidbenzoylmonosaccharideorganosulfur compoundcarboxylic acid derivativesaccharideorganic oxidealcoholsulfenyl compounddialkylthioetherhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesthioethersecondary alcoholhydrocarbon derivativebenzenoidalkyl-phenylketone |
|---|
