| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:48:55 UTC |
|---|
| Update Date | 2025-03-21 18:02:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00035913 |
|---|
| Frequency | 98.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H36N2O18 |
|---|
| Molecular Mass | 628.1963 |
|---|
| SMILES | CC(=O)NC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(=O)O)O3)C2O)C(O)C1O |
|---|
| InChI Key | UIHHMCPBEUTLMJ-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 derivativeshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholacetamidealcoholpyran carboxylic acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
