| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:48 UTC |
|---|
| Update Date | 2025-03-21 18:29:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00076032 |
|---|
| Frequency | 38.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14O2 |
|---|
| Molecular Mass | 142.0994 |
|---|
| SMILES | CCCC=C(O)CC(C)=O |
|---|
| InChI Key | CXTQKEFWNREPDI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | beta-hydroxy ketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxides |
|---|
| Substituents | beta-hydroxy ketonealiphatic acyclic compoundorganic oxidehydrocarbon derivative |
|---|
