| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:44 UTC |
|---|
| Update Date | 2025-03-25 00:49:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02177921 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O8S |
|---|
| Molecular Mass | 292.0253 |
|---|
| SMILES | COc1cc(C(=O)CC(=O)O[SH](=O)(O)O)ccc1O |
|---|
| InChI Key | IMPFIXKUEZLTDO-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 benzenoidsalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesbeta-keto acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativebeta-keto acidorganic oxidemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesanisoleketo acidphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
|---|
