| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:45:56 UTC |
|---|
| Update Date | 2025-03-25 00:48:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02169144 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H21NO11 |
|---|
| Molecular Mass | 367.1115 |
|---|
| SMILES | CC(=O)NC1C(O)C(O)C(CO)OC(O)C1OC(C(=O)O)C(O)C=O |
|---|
| InChI Key | DAZXITOMTMXIFE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | oxepanes |
|---|
| Subclass | oxepanes |
|---|
| Direct Parent | oxepanes |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidesalpha-hydroxyaldehydesbeta hydroxy acids and derivativescarboxylic acidsdialkyl ethershemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
|---|
| Substituents | fatty acylcarbonyl groupethercarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidmonosaccharidefatty acidcarboxylic acid derivativedialkyl etherbeta-hydroxy acidsaccharideorganic oxidealpha-hydroxyaldehydealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalhydroxy fatty acidprimary alcoholacetamidealcoholaldehydehydroxy acidcarboxamide groupoxepaneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
