| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:54 UTC |
|---|
| Update Date | 2025-03-25 00:55:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02214962 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H19NO9 |
|---|
| Molecular Mass | 321.106 |
|---|
| SMILES | CCC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)C=O |
|---|
| InChI Key | BPKSYVRFIJJSIY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | c-glucuronides |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesalpha-hydroxyaldehydesbeta-hydroxy aldehydescarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | beta-hydroxy aldehydecarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidorganic oxidealpha-hydroxyaldehydealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativesaldehydehydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
|---|
