| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:07 UTC |
|---|
| Update Date | 2025-03-25 00:46:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153776 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O4 |
|---|
| Molecular Mass | 160.0736 |
|---|
| SMILES | CC(=O)CCC(O)OC(C)=O |
|---|
| InChI Key | CLZZJXHURVEUBI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acid derivatives |
|---|
| Direct Parent | carboxylic acid esters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hemiacetalshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | ketonealiphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhemiacetalhydrocarbon derivativeorganooxygen compound |
|---|
