| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:52 UTC |
|---|
| Update Date | 2025-03-25 00:47:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162114 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H21NO20S3 |
|---|
| Molecular Mass | 594.9819 |
|---|
| SMILES | O=C(O)C1OC(OC2C(CS(=O)(=O)O)OC(O)C(NOS(=O)(=O)O)C2O)C(OS(=O)(=O)O)C(O)C1O |
|---|
| InChI Key | HVIIEZBGKRZAIC-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 acidsglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfonylssulfuric acid monoesters |
|---|
| Substituents | organosulfonic acid or derivativessulfuric acid monoestercarbonyl groupcarboxylic acidorganosulfonic acido-glucuronidemonosaccharideorganosulfur compoundcarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativessulfonylorganic sulfonic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
|---|
