| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:57:13 UTC |
|---|
| Update Date | 2025-03-25 00:52:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02194843 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H16O4 |
|---|
| Molecular Mass | 188.1049 |
|---|
| SMILES | CCOC(=O)C(O)C(=O)CC(C)C |
|---|
| InChI Key | WMVNFXZPTIKFDN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | beta-keto acids and derivatives |
|---|
| Direct Parent | beta-keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,3-dicarbonyl compoundsacyloinsalpha-hydroxy ketonescarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonefatty acid estersaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacyloincarboxylic acid estersecondary alcoholhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
|---|
