| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:57:56 UTC |
|---|
| Update Date | 2025-03-25 00:52:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02196455 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18O2 |
|---|
| Molecular Mass | 194.1307 |
|---|
| SMILES | CCC1=C(C)C(=O)C(CC(C)C)C1=O |
|---|
| InChI Key | LEPCPPXZYWLSJR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | beta-diketones |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | cyclic ketoneshydrocarbon derivativesorganic oxides |
|---|
| Substituents | ketoneorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivativecyclic ketone1,3-diketone |
|---|
