| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:57 UTC |
|---|
| Update Date | 2025-03-21 18:05:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00057295 |
|---|
| Frequency | 55.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H21NO18S2 |
|---|
| Molecular Mass | 543.02 |
|---|
| SMILES | COC1C(C(=O)O)OC(OC2C(C(=O)O)OC(O)C(NS(=O)(=O)O)C2O)C(OS(=O)(=O)O)C1O |
|---|
| InChI Key | WBFNCTAJCJHFTF-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 sulfatescarbonyl compoundscarboxylic acidsdelta amino acids and derivativesdialkyl ethersdicarboxylic acids and derivativesglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoamidessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupethercarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl ether1-o-glucuronideorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaldelta amino acid or derivativesoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativesoxacyclepyransulfuric acid monoamidesecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
|---|
