| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:22 UTC |
|---|
| Update Date | 2025-03-21 18:00:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00029819 |
|---|
| Frequency | 125.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14O6 |
|---|
| Molecular Mass | 206.079 |
|---|
| SMILES | COC1(C(=O)O)CC(O)C(O)C(O)C1 |
|---|
| InChI Key | VPNOKNJPJAAPBR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | quinic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | carbonyl groupethercarboxylic acidcyclohexanolcarboxylic acid derivativedialkyl etherorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativequinic acid |
|---|
