| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:59 UTC |
|---|
| Update Date | 2025-03-21 17:57:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00006080 |
|---|
| Frequency | 859.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H6O2 |
|---|
| Molecular Mass | 98.0368 |
|---|
| SMILES | C=CC(=O)C(C)=O |
|---|
| InChI Key | DIZBESKOLJEDAW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alpha-diketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsenoneshydrocarbon derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundorganic oxidehydrocarbon derivativeacryloyl-groupalpha,beta-unsaturated ketonealpha-diketoneenone |
|---|
