| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:42 UTC |
|---|
| Update Date | 2025-03-21 18:03:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00042583 |
|---|
| Frequency | 80.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O7 |
|---|
| Molecular Mass | 220.0583 |
|---|
| SMILES | O=C(O)C1CC(O)(C(=O)O)CC(O)C1O |
|---|
| InChI Key | YRDVVGQSALHVLM-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 derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcarboxylic acid derivativebeta-hydroxy acidtertiary alcoholorganic oxidesecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativequinic acid |
|---|
