| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:47:14 UTC |
|---|
| Update Date | 2025-03-21 18:01:16 UTC |
|---|
| HMDB ID | HMDB0031540 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00031891 |
|---|
| Name | 4-Methylcyclohexanone |
|---|
| Frequency | 115.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O |
|---|
| Molecular Mass | 112.0888 |
|---|
| SMILES | CC1CCC(=O)CC1 |
|---|
| InChI Key | VGVHNLRUAMRIEW-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 |
|---|
