| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:41 UTC |
|---|
| Update Date | 2025-03-25 00:46:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02155095 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O3S |
|---|
| Molecular Mass | 238.0664 |
|---|
| SMILES | Cc1ccc(C)c(C(=O)CSCC(=O)O)c1 |
|---|
| InChI Key | YZUVLNGHOAFMHM-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 | aryl alkyl ketonesbenzoyl derivativescarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compoundsp-xylenes |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonesulfenyl compounddialkylthioetherbenzoylorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundxyleneorganic oxidemonocarboxylic acid or derivativesp-xylenethioetherhydrocarbon derivativebenzenoidalkyl-phenylketone |
|---|
