| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:50 UTC |
|---|
| Update Date | 2025-03-21 18:33:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00097677 |
|---|
| Frequency | 28.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H5ClO2 |
|---|
| Molecular Mass | 167.9978 |
|---|
| SMILES | O=C(Cl)C(=O)c1ccccc1 |
|---|
| InChI Key | BNGOFPJWZUXKNR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoyl derivatives |
|---|
| Direct Parent | benzoyl derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acyl chloridesalpha-chloroketonesaryl ketoneshydrocarbon derivativesorganic oxidesorganochlorides |
|---|
| Substituents | carbonyl grouporganochloridebenzoylorganohalogen compoundacyl halidealpha-chloroketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundacyl chloridealpha-haloketonehydrocarbon derivativeorganooxygen compoundaryl ketone |
|---|
