| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:31 UTC |
|---|
| Update Date | 2025-03-21 17:59:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00018705 |
|---|
| Frequency | 220.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H16O |
|---|
| Molecular Mass | 128.1201 |
|---|
| SMILES | CCC(C)(C)CC(C)=O |
|---|
| InChI Key | GUHILFBUKAVJSQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | ketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxides |
|---|
| Substituents | ketonealiphatic acyclic compoundorganic oxidehydrocarbon derivative |
|---|
