| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 13:07:52 UTC |
|---|
| Update Date | 2025-03-24 21:56:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01938103 |
|---|
| Frequency | 0.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O2 |
|---|
| Molecular Mass | 128.0837 |
|---|
| SMILES | CC(C)(C)C(=O)CC=O |
|---|
| InChI Key | VLJKEQYDVMCGHW-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 | alpha-hydrogen aldehydeshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | ketonealiphatic acyclic compoundorganic oxidealpha-hydrogen aldehydebeta-ketoaldehydehydrocarbon derivative |
|---|
