| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:33:52 UTC |
|---|
| Update Date | 2025-03-21 17:56:24 UTC |
|---|
| HMDB ID | HMDB0031480 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00001139 |
|---|
| Name | Heptyl acetate |
|---|
| Frequency | 5112.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H18O2 |
|---|
| Molecular Mass | 158.1307 |
|---|
| SMILES | CCCCCCCOC(C)=O |
|---|
| InChI Key | ZCZSIDMEHXZRLG-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 |
|---|
