| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:26:46 UTC |
|---|
| Update Date | 2025-03-25 00:41:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02125201 |
|---|
| Frequency | 0.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H31NO31S4 |
|---|
| Molecular Mass | 896.9763 |
|---|
| SMILES | COC1OC(COS(=O)(=O)O)C(OC2OC(OC3OC(C(=O)O)C(O)C(O)C3OS(=O)(=O)O)(C(=O)O)C(O)C(O)C2OS(=O)(=O)O)C(O)C1NOS(=O)(=O)O |
|---|
| InChI Key | RYZGYORNUBUSHQ-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 | alkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalketalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
|---|
