| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:23 UTC |
|---|
| Update Date | 2025-03-21 18:34:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00098982 |
|---|
| Frequency | 27.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O7S |
|---|
| Molecular Mass | 302.046 |
|---|
| SMILES | CC(C)COC(=O)c1ccccc1C(=O)OS(=O)(=O)O |
|---|
| InChI Key | IADHTBNNOAKWJS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativesulfuric acid esterorganooxygen compound |
|---|
