| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:10 UTC |
|---|
| Update Date | 2025-03-21 18:28:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00072116 |
|---|
| Frequency | 41.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O2 |
|---|
| Molecular Mass | 140.0837 |
|---|
| SMILES | CC(=O)C(=O)C1CCCC1 |
|---|
| InChI Key | IAVDBBBLJDLZSD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alpha-diketones |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxides |
|---|
| Substituents | organic oxidealiphatic homomonocyclic compoundhydrocarbon derivativealpha-diketone |
|---|
