| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:54 UTC |
|---|
| Update Date | 2025-03-21 18:35:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00107690 |
|---|
| Frequency | 24.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O2 |
|---|
| Molecular Mass | 126.0681 |
|---|
| SMILES | CCCC=CC(=O)C=O |
|---|
| InChI Key | JJPYQSXWXBJMLA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | medium-chain aldehydes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsalpha ketoaldehydesenoneshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundalpha,beta-unsaturated ketonemedium-chain aldehydeketoneorganic oxidehydrocarbon derivativeacryloyl-groupalpha-ketoaldehydeenone |
|---|
