| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:09 UTC |
|---|
| Update Date | 2025-03-21 18:33:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00095983 |
|---|
| Frequency | 28.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O9S2 |
|---|
| Molecular Mass | 313.9766 |
|---|
| SMILES | O=S(=O)(O)Oc1ccc(C(CO)OS(=O)(=O)O)cc1 |
|---|
| InChI Key | PKLCKDXQOSNRFS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | phenylsulfates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl sulfateshydrocarbon derivativesorganic oxidesphenoxy compoundsprimary alcoholssulfuric acid monoesters |
|---|
| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoesteraromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterprimary alcoholorganooxygen compound |
|---|
