| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 06:39:33 UTC |
|---|
| Update Date | 2025-03-24 17:55:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01009363 |
|---|
| Frequency | 1.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O2 |
|---|
| Molecular Mass | 126.0681 |
|---|
| SMILES | CCC(=CC=O)C(C)=O |
|---|
| InChI Key | NILOICIIJBIJGE-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 compoundsaldehydesenoneshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | alpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundaldehydeketoneorganic oxidehydrocarbon derivativeacryloyl-groupenone |
|---|
