| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:48:51 UTC |
|---|
| Update Date | 2025-03-21 21:58:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00458880 |
|---|
| Frequency | 3.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O3 |
|---|
| Molecular Mass | 144.0786 |
|---|
| SMILES | CCCC(O)C(=O)C(C)=O |
|---|
| InChI Key | ULGMYPHIZCIBHE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | monosaccharides |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acyloinsalpha-diketonesalpha-hydroxy ketonesbeta-hydroxy ketoneshydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupmonosaccharidealpha-hydroxy ketonealpha-diketoneketoneorganic oxideacyloinsecondary alcoholhydrocarbon derivative |
|---|
