| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:23 UTC |
|---|
| Update Date | 2025-03-21 18:34:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00099006 |
|---|
| Frequency | 27.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16N2O3 |
|---|
| Molecular Mass | 248.1161 |
|---|
| SMILES | CC(=O)NCCC(=O)c1cc(C)ccc1NC=O |
|---|
| InChI Key | XGYWPCZTXBADQB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acetamidesanilidesaryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestoluenesvinylogous amides |
|---|
| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyln-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidevinylogous amidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidehydrocarbon derivativebenzenoidorganic nitrogen compoundtoluenealkyl-phenylketone |
|---|
