| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:02:47 UTC |
|---|
| Update Date | 2025-03-21 19:01:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00210662 |
|---|
| Frequency | 10.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O3 |
|---|
| Molecular Mass | 128.0473 |
|---|
| SMILES | CCC(=O)CC(=O)C=O |
|---|
| InChI Key | KXLMWINKDVAJKB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | medium-chain aldehydes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha ketoaldehydeshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | ketonealiphatic acyclic compoundorganic oxidehydrocarbon derivativemedium-chain aldehydealpha-ketoaldehyde |
|---|
