| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:22:15 UTC |
|---|
| Update Date | 2025-03-25 01:01:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02252271 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H8ClNO5 |
|---|
| Molecular Mass | 257.0091 |
|---|
| SMILES | Nc1c(C(=O)CC(=O)C(=O)O)ccc(O)c1Cl |
|---|
| InChI Key | MHXSIFFMROUCGI-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 benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsaryl alkyl ketonesaryl chloridesbenzoyl derivativesbutyrophenonescarboxylic acidschlorobenzenesgamma-keto acids and derivativeshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganopnictogen compoundsprimary aminesvinylogous amides |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundaryl chloride2-chlorophenolchlorobenzenevinylogous amidearyl halidegamma-keto acidbutyrophenonearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzeneaminealkyl-phenylketone |
|---|
