| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:58:41 UTC |
|---|
| Update Date | 2025-03-25 00:53:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02198193 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12N2O4 |
|---|
| Molecular Mass | 224.0797 |
|---|
| SMILES | Nc1ccc(O)c(C(=O)C(N)CC(=O)O)c1 |
|---|
| InChI Key | SQISRTFPVZKSSJ-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 benzenoidsamino acidsaryl alkyl ketonesbenzoyl derivativesbeta amino acids and derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsvinylogous acids |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbeta amino acid or derivativesgamma-keto acidbutyrophenonearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
|---|
