| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:06 UTC |
|---|
| Update Date | 2025-03-21 18:03:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00043581 |
|---|
| Frequency | 78.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H33NO18 |
|---|
| Molecular Mass | 587.1698 |
|---|
| SMILES | CC(=O)NC1C(O)CC(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(O)C2O)(C(=O)O)OC1C(=O)O |
|---|
| InChI Key | XGBVYSPXVSSXRN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyran carboxylic acids and derivatives |
|---|
| Direct Parent | pyran carboxylic acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholacetamidealcoholpyran carboxylic acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
