| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:17:19 UTC |
|---|
| Update Date | 2025-03-21 18:35:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00103756 |
|---|
| Frequency | 26.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O8S |
|---|
| Molecular Mass | 292.0253 |
|---|
| SMILES | O=C(CCCc1cc(O)c(O)c(O)c1)OS(=O)(=O)O |
|---|
| InChI Key | LYOFSSDLEBPNRB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | benzenetriols and derivatives |
|---|
| Direct Parent | pyrogallols and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativespyrogallol derivative1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativesulfuric acid esterorganooxygen compound |
|---|
