| Record Information |
|---|
| HMDB Status | quantified |
|---|
| Creation Date | 2024-02-20 23:58:36 UTC |
|---|
| Update Date | 2025-03-21 18:05:45 UTC |
|---|
| HMDB ID | HMDB0034136 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00058825 |
|---|
| Name | Octyl butanoate |
|---|
| Frequency | 53.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H24O2 |
|---|
| Molecular Mass | 200.1776 |
|---|
| SMILES | CCCCCCCCOC(=O)CCC |
|---|
| InChI Key | PWLNAUNEAKQYLH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty alcohol esters |
|---|
| Direct Parent | fatty alcohol esters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupfatty alcohol estercarboxylic acid derivativefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
