| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:25 UTC |
|---|
| Update Date | 2025-03-21 18:36:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00111378 |
|---|
| Frequency | 23.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H11ClN2O3 |
|---|
| Molecular Mass | 242.0458 |
|---|
| SMILES | Nc1ccc(Cl)cc1C(=O)CC(N)C(=O)O |
|---|
| InChI Key | VCCXKKFHLAJBJJ-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 | alpha amino acidsamino acidsaryl alkyl ketonesaryl chloridesbenzoyl derivativesbutyrophenonescarboxylic acidschlorobenzenesgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsvinylogous amides |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidorganochloridebenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenevinylogous amidearyl halidegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundhalobenzeneaminealkyl-phenylketone |
|---|
