| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:29 UTC |
|---|
| Update Date | 2025-03-21 18:33:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00096785 |
|---|
| Frequency | 28.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O4 |
|---|
| Molecular Mass | 172.0736 |
|---|
| SMILES | COC(=O)CCC(=O)CC(C)=O |
|---|
| InChI Key | RNKNGJNPKXTDJK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | gamma-keto acids and derivatives |
|---|
| Direct Parent | gamma-keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | fatty acid methyl estershydrocarbon derivativesketonesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativegamma-keto acidketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
