| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:28 UTC |
|---|
| Update Date | 2025-03-25 00:49:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02177291 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H23NO17S2 |
|---|
| Molecular Mass | 529.0407 |
|---|
| SMILES | COC1OC(CS(=O)(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1NOS(=O)(=O)O |
|---|
| InChI Key | VNUYKNUQZYVXPN-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 | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfonyls |
|---|
| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acido-glucuronidemonosaccharideorganosulfur compoundcarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativessulfonylorganic sulfonic acid or derivativespyransecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
|---|
