| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:01 UTC |
|---|
| Update Date | 2025-03-25 00:51:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02187667 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H22O5 |
|---|
| Molecular Mass | 246.1467 |
|---|
| SMILES | CC(C)C(=O)OCC(C)(O)C(O)C(=O)C(C)C |
|---|
| InChI Key | ISJUTLSIWSOVGP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | monosaccharides |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,2-diolsacyloinsalpha-hydroxy ketonesbeta-hydroxy ketonescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcohols |
|---|
| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesacyloincarboxylic acid estersecondary alcoholhydrocarbon derivative1,2-diol |
|---|
