| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:22 UTC |
|---|
| Update Date | 2025-03-21 18:34:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00098973 |
|---|
| Frequency | 27.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H16O3 |
|---|
| Molecular Mass | 160.1099 |
|---|
| SMILES | CCCOC(=O)C(C)(C)CO |
|---|
| InChI Key | JRZNZEOJCGPFAR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alcohols and polyolscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
