| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:22:50 UTC |
|---|
| Update Date | 2025-03-25 01:02:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02253549 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11NO4 |
|---|
| Molecular Mass | 221.0688 |
|---|
| SMILES | C=CC(=O)CC(=O)c1ccc(O)c(O)c1N |
|---|
| InChI Key | BRPKYFTWMDUEJZ-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 benzenoidsacryloyl compoundsaryl alkyl ketonesbenzoyl derivativesbutyrophenonesenoneshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
|---|
| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketoneorganic oxideorganonitrogen compoundorganopnictogen compoundenonevinylogous amide1-hydroxy-4-unsubstituted benzenoidbutyrophenonearomatic homomonocyclic compoundphenolhydrocarbon derivativebenzenoidacryloyl-groupprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
|---|
