| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:31 UTC |
|---|
| Update Date | 2025-03-21 18:38:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00123542 |
|---|
| Frequency | 20.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O8S |
|---|
| Molecular Mass | 292.0253 |
|---|
| SMILES | O=C(O)CC(O)Cc1ccc(OS(=O)(=O)O)c(O)c1 |
|---|
| InChI Key | FIKGAFONTRGVQW-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephenylsulfatebeta-hydroxy acidorganic oxidealcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
