| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:33 UTC |
|---|
| Update Date | 2025-03-21 18:41:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00135303 |
|---|
| Frequency | 18.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H21NO13 |
|---|
| Molecular Mass | 411.1013 |
|---|
| SMILES | CC(=O)NC1C(O)CC(OC2OC(C(=O)O)C(O)C(O)C2O)(C(=O)O)OC1O |
|---|
| InChI Key | PLDNMDYWBQYUBF-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 | acetamidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshemiacetalshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
|---|
