| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:06:43 UTC |
|---|
| Update Date | 2025-03-25 00:56:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02216851 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H14O5S |
|---|
| Molecular Mass | 282.0562 |
|---|
| SMILES | O=C(O)CCSCc1ccc(CC(=O)C(=O)O)cc1 |
|---|
| InChI Key | XCJKWBGGEKUGAE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpyruvic acid derivatives |
|---|
| Direct Parent | phenylpyruvic acid derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenylpropanoic acidssulfenyl compounds |
|---|
| Substituents | carbonyl groupcarboxylic acidsulfenyl compoundphenylpyruvate3-phenylpropanoic-aciddialkylthioetherorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundthioetherketo acidalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
