| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:23 UTC |
|---|
| Update Date | 2025-03-21 18:31:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00084657 |
|---|
| Frequency | 33.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13NO3 |
|---|
| Molecular Mass | 219.0895 |
|---|
| SMILES | O=C(O)C1CCC(=O)N1Cc1ccccc1 |
|---|
| InChI Key | MOHLVDJRXGVGOM-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 compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxoprolinespyrrolidine carboxylic acidspyrrolidine-2-onestertiary carboxylic acid amides |
|---|
| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundproline or derivativesoxoprolineazacyclen-alkylpyrrolidinecarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
