| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 04:54:19 UTC |
|---|
| Update Date | 2025-03-24 14:05:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00757039 |
|---|
| Frequency | 2.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O3 |
|---|
| Molecular Mass | 144.0786 |
|---|
| SMILES | CCC(=O)C(O)C(=O)CC |
|---|
| InChI Key | GTVOMZOFPBBJOF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | beta-diketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acyloinsalpha-hydroxy ketoneshydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundmonosaccharidealpha-hydroxy ketoneketonesaccharideorganic oxideacyloinsecondary alcoholhydrocarbon derivative1,3-diketone |
|---|
