| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 06:40:31 UTC |
|---|
| Update Date | 2025-03-24 17:55:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01011676 |
|---|
| Frequency | 1.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H16O2 |
|---|
| Molecular Mass | 144.115 |
|---|
| SMILES | CCC(C)C(CO)C(C)=O |
|---|
| InChI Key | DHYIRIBEUGXNGX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | beta-hydroxy ketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxidesprimary alcohols |
|---|
| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundorganic oxidehydrocarbon derivativeprimary alcohol |
|---|
