| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:37:52 UTC |
|---|
| Update Date | 2025-03-21 17:57:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00010529 |
|---|
| Frequency | 446.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14O7 |
|---|
| Molecular Mass | 222.074 |
|---|
| SMILES | CC(=O)OC1C(O)C(O)C(O)C(O)C1O |
|---|
| InChI Key | SJZIHMQRRBXIGV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | cyclohexanols |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid esterscyclitols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | carbonyl groupcyclohexanolcyclitol or derivativescyclic alcoholcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteraliphatic homomonocyclic compoundhydrocarbon derivative |
|---|
