| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:07 UTC |
|---|
| Update Date | 2025-03-25 00:46:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02158263 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H6ClF3O3 |
|---|
| Molecular Mass | 253.9958 |
|---|
| SMILES | O=C(O)COc1ccc(Cl)cc1C(F)(F)F |
|---|
| InChI Key | CDFXWRPJIQEVAY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenoxyacetic acid derivatives |
|---|
| Direct Parent | chlorophenoxyacetates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalkyl fluoridesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganofluoridesphenol ethersphenoxy compoundstrifluoromethylbenzenes |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxidealkyl halidetrifluoromethylbenzenearyl chloridechlorobenzenealkyl fluorideorganofluoridearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundchlorophenoxyacetatehydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
|---|
