| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:57 UTC |
|---|
| Update Date | 2025-03-21 18:41:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00136238 |
|---|
| Frequency | 18.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O6S |
|---|
| Molecular Mass | 248.0355 |
|---|
| SMILES | COCCc1ccc(O)c(OS(=O)(=O)O)c1 |
|---|
| InChI Key | VJFXPUCTKYWMIL-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 | 1-hydroxy-2-unsubstituted benzenoidsdialkyl ethershydrocarbon derivativesorganic oxidesphenoxy compoundssulfuric acid monoesterstyrosols and derivatives |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoiddialkyl etheraromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidtyrosol derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
