| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:11:49 UTC |
|---|
| Update Date | 2025-03-25 00:58:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02228396 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H21NO8 |
|---|
| Molecular Mass | 307.1267 |
|---|
| SMILES | CC(=O)NC1C(O)COC(CO)C(O)C1OC(C)C(=O)O |
|---|
| InChI Key | YQGKTYKGUJOIIH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | oxepanes |
|---|
| Subclass | oxepanes |
|---|
| Direct Parent | oxepanes |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | alcoholcarbonyl groupethercarboxylic acidcarboxamide groupcarboxylic acid derivativedialkyl etheroxepaneoxacyclesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholacetamideorganooxygen compound |
|---|
