| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:45:17 UTC |
|---|
| Update Date | 2025-03-21 18:00:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00027319 |
|---|
| Frequency | 139.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H15NO4 |
|---|
| Molecular Mass | 249.1001 |
|---|
| SMILES | O=C(O)C1CCCN1C(=O)OCc1ccccc1 |
|---|
| InChI Key | JXGVXCZADZNAMJ-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 | proline and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundsbenzyloxycarbonylscarbamate esterscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine carboxylic acids |
|---|
| Substituents | benzyloxycarbonylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativescarbonic acid derivativeazacyclecarbamic acid estermonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
