| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:06 UTC |
|---|
| Update Date | 2025-03-21 18:33:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00095874 |
|---|
| Frequency | 28.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18O16S |
|---|
| Molecular Mass | 450.0316 |
|---|
| SMILES | O=C(O)C1OC(OC2C(O)C(O)OC(C(=O)O)C2O)C(OS(=O)(=O)O)C(O)C1O |
|---|
| InChI Key | HWJGBLLXVKQCPS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | o-glucuronides |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsalkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundhemiacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativesulfuric acid ester |
|---|
