| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:41:34 UTC |
|---|
| Update Date | 2025-03-21 20:00:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00300136 |
|---|
| Frequency | 6.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H12O2 |
|---|
| Molecular Mass | 116.0837 |
|---|
| SMILES | CC(C)(CO)CC=O |
|---|
| InChI Key | VOISQCUJWIZDHK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alpha-hydrogen aldehydes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alcohols and polyolshydrocarbon derivativesorganic oxides |
|---|
| Substituents | alcoholaliphatic acyclic compoundorganic oxidealpha-hydrogen aldehydehydrocarbon derivative |
|---|
