| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:17:32 UTC |
|---|
| Update Date | 2025-03-25 01:00:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02241341 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C25H44N2O16 |
|---|
| Molecular Mass | 628.2691 |
|---|
| SMILES | CC(=O)NC1OC(CO)C(OC2C(O)C(CO)OC(OC3CC(O)C(NC(C)=O)C(C(O)C(O)CO)C3O)C2O)CC1O |
|---|
| InChI Key | RXQJHLLWAKBBOO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | cyclohexanols |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsacetamidescarbonyl compoundscarboxylic acids and derivativescyclitols and derivativesdialkyl ethershydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupethermonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidecyclohexanolcyclitol or derivativescyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amidehydrocarbon derivativeorganic nitrogen compound |
|---|
