| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:11:21 UTC |
|---|
| Update Date | 2025-03-25 00:57:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02227385 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O6S2 |
|---|
| Molecular Mass | 277.9919 |
|---|
| SMILES | C=CCc1ccc(OS(=O)(=O)O)c(S(=O)O)c1 |
|---|
| InChI Key | GVUCANUQAGRQOZ-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 | hydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfur compoundsphenoxy compoundssulfinic acidssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestersulfinic acid derivativeorganosulfur compoundsulfinic acidaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
