| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:13:32 UTC |
|---|
| Update Date | 2025-03-25 00:58:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02232229 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H19ClO3 |
|---|
| Molecular Mass | 282.1023 |
|---|
| SMILES | CCC(CCC(C)=O)COC(=O)c1ccc(Cl)cc1 |
|---|
| InChI Key | FCESDJQKLAWNMQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 4-halobenzoic acids and derivativesaryl chloridesbenzoyl derivativescarboxylic acid esterschlorobenzeneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
|---|
| Substituents | aryl chloridechlorobenzenecarbonyl grouporganochloridebenzoylbenzoate esterhalobenzoic acid or derivativescarboxylic acid derivativeorganohalogen compoundaryl halideketone4-halobenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativehalobenzeneorganooxygen compound |
|---|
