| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:56:26 UTC |
|---|
| Update Date | 2025-03-25 00:52:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02193060 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O3 |
|---|
| Molecular Mass | 156.0786 |
|---|
| SMILES | CCCC(C)C(=O)C(O)=C=O |
|---|
| InChI Key | DROFXWJEUUBRMF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alpha-hydroxy ketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsenoneshydrocarbon derivativesorganic oxidesynolates |
|---|
| Substituents | aliphatic acyclic compoundorganic oxideynolatehydrocarbon derivativeacryloyl-groupalpha-hydroxy ketoneenone |
|---|
