| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:07:17 UTC |
|---|
| Update Date | 2025-03-21 18:29:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00079707 |
|---|
| Frequency | 36.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H21ClO2 |
|---|
| Molecular Mass | 268.123 |
|---|
| SMILES | CCCCC(CC)COC(=O)c1cccc(Cl)c1 |
|---|
| InChI Key | MVUUSBDQBPMNBP-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 | 3-halobenzoic acids and derivativesaryl chloridesbenzoyl derivativescarboxylic acid esterschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compounds |
|---|
| Substituents | aryl chloridechlorobenzene3-halobenzoic acid or derivativesorganochloridebenzoylbenzoate esterhalobenzoic acid or derivativescarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativehalobenzeneorganooxygen compound |
|---|
