| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:39:05 UTC |
|---|
| Update Date | 2025-03-21 21:54:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00436058 |
|---|
| Frequency | 4.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O2 |
|---|
| Molecular Mass | 128.0837 |
|---|
| SMILES | CCC(=O)C(C)(C)C=O |
|---|
| InChI Key | PVYBKZHBCCMBPS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | beta ketoaldehydes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | ketonealiphatic acyclic compoundorganic oxidebeta-ketoaldehydehydrocarbon derivative |
|---|
