| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:47:52 UTC |
|---|
| Update Date | 2025-03-25 00:49:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02173569 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H30O3 |
|---|
| Molecular Mass | 318.2195 |
|---|
| SMILES | CCC(CCC(C)=O)COC(=O)c1ccccc1CC(C)(C)C |
|---|
| InChI Key | DEEDYIYYJCFVMH-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 | benzoyl derivativescarboxylic acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesphenylpropanes |
|---|
| Substituents | carbonyl groupbenzoylbenzoate estercarboxylic acid derivativeketonephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
