| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:44 UTC |
|---|
| Update Date | 2025-03-25 00:45:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02150515 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H19NO11 |
|---|
| Molecular Mass | 365.0958 |
|---|
| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)O)OC(C(O)C(C=O)C(=O)O)C1O |
|---|
| InChI Key | WZSRIWJMMZENTJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | oxepanes |
|---|
| Subclass | oxepanes |
|---|
| Direct Parent | oxepanes |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,3-dicarbonyl compoundsacetamidesalpha hydroxy acids and derivativesbeta hydroxy acids and derivativesbeta-hydroxy aldehydescarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | beta-hydroxy aldehydecarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativebeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalacetamidealcoholaldehydehydroxy acidcarboxamide groupoxepaneoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
|---|
