| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:34 UTC |
|---|
| Update Date | 2025-03-21 18:39:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00123651 |
|---|
| Frequency | 20.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O8 |
|---|
| Molecular Mass | 236.0532 |
|---|
| SMILES | O=C(O)OC1C(O)CC(O)(C(=O)O)CC1O |
|---|
| InChI Key | HDWIKYQHIKMNEN-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 | alpha hydroxy acids and derivativescarbonic acid monoesterscarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | carbonyl groupcarbonic acid derivativecarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativescarbonic acid monoestersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativequinic acid |
|---|
