| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:24 UTC |
|---|
| Update Date | 2025-03-21 18:06:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00063086 |
|---|
| Frequency | 49.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H16O5 |
|---|
| Molecular Mass | 204.0998 |
|---|
| SMILES | CCOC(=O)C(C)C(O)C(=O)OCC |
|---|
| InChI Key | UNVUFOXAXGOVFT-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 | carbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativefatty acid esterbeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
