| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:51:46 UTC |
|---|
| Update Date | 2025-03-21 22:00:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00465800 |
|---|
| Frequency | 3.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O2 |
|---|
| Molecular Mass | 112.0524 |
|---|
| SMILES | C=C(CC)C(=O)C=O |
|---|
| InChI Key | NQVLDXFAFXXEIE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alpha-branched alpha,beta-unsaturated ketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsalpha ketoaldehydesenoneshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | alpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundaldehydeketoneorganic oxidehydrocarbon derivativeacryloyl-groupalpha-ketoaldehydeenone |
|---|
