| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:51 UTC |
|---|
| Update Date | 2025-03-21 18:39:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00124265 |
|---|
| Frequency | 20.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H11NO4 |
|---|
| Molecular Mass | 209.0688 |
|---|
| SMILES | COC(=O)CC(=O)c1cccc(O)c1N |
|---|
| InChI Key | MXIHCWBBJIIUDQ-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino acids and derivativesaryl alkyl ketonesbenzoyl derivativesbeta-keto acids and derivativesfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
|---|
| Substituents | fatty acylmonocyclic benzene moietyaryl alkyl ketoneamino acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidorganic oxidemethyl esterorganonitrogen compoundorganopnictogen compoundvinylogous amide1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesketo acidcarboxylic acid esterphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
|---|
