| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:01 UTC |
|---|
| Update Date | 2025-03-25 00:51:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02185330 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13NO3 |
|---|
| Molecular Mass | 219.0895 |
|---|
| SMILES | NC(=CC(=O)CCc1ccccc1)C(=O)O |
|---|
| InChI Key | KUDLUTGZANUSNB-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 | alpha amino acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsamino fatty acidsbenzene and substituted derivativescarbocyclic fatty acidscarboxylic acidsenoneshydrocarbon derivativesketonesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsunsaturated fatty acidsvinylogous amides |
|---|
| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty acidalpha,beta-unsaturated ketoneketoneunsaturated fatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidenonevinylogous amideamino fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
