| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:15 UTC |
|---|
| Update Date | 2025-03-25 00:54:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02208708 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H16O5 |
|---|
| Molecular Mass | 192.0998 |
|---|
| SMILES | CC(=O)OCC(C)(O)C(O)C(C)O |
|---|
| InChI Key | BNXUQMGBWTUEEQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | tertiary alcohols |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativescarboxylic acid estersecondary alcoholhydrocarbon derivative |
|---|
