| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:51 UTC |
|---|
| Update Date | 2025-03-21 18:31:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00085767 |
|---|
| Frequency | 33.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16O10S |
|---|
| Molecular Mass | 364.0464 |
|---|
| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OCC(=O)OS(=O)(=O)O |
|---|
| InChI Key | RZSOJBJIWWNMJI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acid esters |
|---|
| Direct Parent | fatty acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
|---|
