| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:53:37 UTC |
|---|
| Update Date | 2025-03-21 22:00:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00470115 |
|---|
| Frequency | 3.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O3 |
|---|
| Molecular Mass | 144.0786 |
|---|
| SMILES | CCC(=O)OCCCC=O |
|---|
| InChI Key | IQHZJSBKFXEONO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alpha-hydrogen aldehydes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundorganic oxidemonocarboxylic acid or derivativesalpha-hydrogen aldehydecarboxylic acid esterhydrocarbon derivativecarboxylic acid derivative |
|---|
