| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:44 UTC |
|---|
| Update Date | 2025-03-21 18:03:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00042697 |
|---|
| Frequency | 79.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H12O2 |
|---|
| Molecular Mass | 116.0837 |
|---|
| SMILES | CCC(O)(C=O)CC |
|---|
| InChI Key | OWJBUOUIJMHBKY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | tertiary alcohols |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-hydroxyaldehydeshydrocarbon derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl grouptertiary alcoholorganic oxidealpha-hydroxyaldehydealdehydehydrocarbon derivative |
|---|
