| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:50:19 UTC |
|---|
| Update Date | 2025-03-21 18:02:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00039279 |
|---|
| Frequency | 88.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14O4 |
|---|
| Molecular Mass | 174.0892 |
|---|
| SMILES | CCC(COC(C)=O)CC(=O)O |
|---|
| InChI Key | YTYYFFVGEWZGQT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | short-chain hydroxy acids and derivatives |
|---|
| Direct Parent | short-chain hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsorganic oxides |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidfatty acidcarboxylic acid derivativebranched fatty acidorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
