| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:46:51 UTC |
|---|
| Update Date | 2025-03-21 18:01:06 UTC |
|---|
| HMDB ID | HMDB0040167 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00030966 |
|---|
| Name | (±)-3-Octyl acetate |
|---|
| Frequency | 119.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H20O2 |
|---|
| Molecular Mass | 172.1463 |
|---|
| SMILES | CCCCCC(CC)OC(C)=O |
|---|
| InChI Key | STZUZYMKSMSTOU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acid derivatives |
|---|
| Direct Parent | carboxylic acid esters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
