| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:18 UTC |
|---|
| Update Date | 2025-03-25 00:46:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02154233 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18N2O4 |
|---|
| Molecular Mass | 278.1267 |
|---|
| SMILES | COc1cc(CNC(=O)C2CCC(=O)N2C)ccc1O |
|---|
| InChI Key | LSXPOMVNMSEEHE-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acid amidesalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsmethoxybenzenesmethoxyphenolsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolidine-2-onespyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amides |
|---|
| Substituents | 2-pyrrolidonephenol ethermonocyclic benzene moietycarbonyl groupetherlactamaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundproline or derivativesalpha-amino acid amideazacyclen-alkylpyrrolidinecarboxamide groupmethoxybenzenesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamidephenoxy compoundorganooxygen compound |
|---|
