| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:17:42 UTC |
|---|
| Update Date | 2025-03-21 18:35:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00104733 |
|---|
| Frequency | 25.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO5 |
|---|
| Molecular Mass | 253.095 |
|---|
| SMILES | COc1ccc(C(=O)CC(N)C(=O)O)cc1OC |
|---|
| InChI Key | SPKOUKVOQUROEK-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 | alkyl aryl ethersalpha amino acidsanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsdimethoxybenzenesgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketonebenzoylalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxideo-dimethoxybenzeneorganonitrogen compoundalpha-amino acidorganopnictogen compoundmethoxybenzenegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesanisoleketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundalkyl-phenylketone |
|---|
