| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:49 UTC |
|---|
| Update Date | 2025-03-25 00:50:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02182658 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO12 |
|---|
| Molecular Mass | 365.0594 |
|---|
| SMILES | O=C=C(NC(CC(=O)O)C(=O)O)OC1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | CQLZHNPYHMGQNN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | aspartic acid and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsalpha amino acidsamino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivativesynolates |
|---|
| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativesamino acido-glucuronidemonosaccharidetricarboxylic acid or derivativespyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholsecondary aliphatic aminepyran carboxylic acid or derivativeshydroxy acidsecondary amineoxacycleorganic oxygen compoundynolatepyranaspartic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
