| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:04 UTC |
|---|
| Update Date | 2025-03-25 00:50:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02183205 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H8O4S |
|---|
| Molecular Mass | 224.0143 |
|---|
| SMILES | O=C(S)C(=O)CC(=O)c1ccccc1O |
|---|
| InChI Key | VDSAGLBNXNTALP-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkylthiolsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarbodithioic acidscarbothioic s-acidscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganosulfur compoundsthiocarboxylic acids and derivativesthiolactonesvinylogous acids |
|---|
| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativeorganic oxidethiolactonethiocarboxylic acid or derivativescarbodithioic acid1-hydroxy-4-unsubstituted benzenoidcarbothioic s-acidbutyrophenonearomatic homomonocyclic compoundvinylogous acidphenolhydrocarbon derivativebenzenoidalkylthiolalkyl-phenylketone |
|---|
