| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:34:28 UTC |
|---|
| Update Date | 2025-03-21 17:56:37 UTC |
|---|
| HMDB ID | HMDB0031593 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00002546 |
|---|
| Name | 5-Methyl-2,3-hexanedione |
|---|
| Frequency | 2380.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O2 |
|---|
| Molecular Mass | 128.0837 |
|---|
| SMILES | CC(=O)C(=O)CC(C)C |
|---|
| InChI Key | PQCLJXVUAWLNSV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alpha-diketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundorganic oxidehydrocarbon derivativealpha-diketone |
|---|
