| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:20 UTC |
|---|
| Update Date | 2025-03-21 18:33:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00096395 |
|---|
| Frequency | 28.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7ClO2 |
|---|
| Molecular Mass | 170.0135 |
|---|
| SMILES | CC(=O)Oc1cccc(Cl)c1 |
|---|
| InChI Key | GQTKYLQYHPTULY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol esters |
|---|
| Subclass | phenol esters |
|---|
| Direct Parent | phenol esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl chloridescarbonyl compoundscarboxylic acid esterschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compounds |
|---|
| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietycarbonyl grouporganochloridecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterhydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
|---|
