| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-21 03:01:23 UTC |
|---|
| Update Date | 2025-03-21 22:04:10 UTC |
|---|
| HMDB ID | HMDB0031197 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00488400 |
|---|
| Name | 2,4,4-Trimethylcyclopentanone |
|---|
| Frequency | 3.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14O |
|---|
| Molecular Mass | 126.1045 |
|---|
| SMILES | CC1CC(C)(C)CC1=O |
|---|
| InChI Key | OXTQEWUBDTVSFB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | cyclic ketones |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxides |
|---|
| Substituents | organic oxidealiphatic homomonocyclic compoundhydrocarbon derivativecyclic ketone |
|---|
