| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:05:36 UTC |
|---|
| Update Date | 2025-03-21 19:03:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00217364 |
|---|
| Frequency | 10.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14O |
|---|
| Molecular Mass | 126.1045 |
|---|
| SMILES | CC=C(C(C)=O)C(C)C |
|---|
| InChI Key | XAEXPCKVDISGLT-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 compoundsenoneshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | ketonealpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundorganic oxidehydrocarbon derivativeacryloyl-groupenone |
|---|
