| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:58 UTC |
|---|
| Update Date | 2025-03-21 18:34:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100407 |
|---|
| Frequency | 27.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14O4 |
|---|
| Molecular Mass | 174.0892 |
|---|
| SMILES | CCC(O)CCC(=O)OC(C)=O |
|---|
| InChI Key | BRBQUXIDIOPFJF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | dicarboxylic acids and derivatives |
|---|
| Direct Parent | dicarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid anhydrideshydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundcarbonyl grouporganic oxideorganic oxygen compoundcarboxylic acid anhydridesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
