| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:04 UTC |
|---|
| Update Date | 2025-03-21 18:41:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00131967 |
|---|
| Frequency | 19.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H22O7 |
|---|
| Molecular Mass | 302.1366 |
|---|
| SMILES | O=C(OC1CC(O)(C(=O)O)CC(O)C1O)C1CCCCC1 |
|---|
| InChI Key | YWBTVIRJIQGJDI-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 derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcarboxylic acid derivativetertiary alcoholorganic oxidecarboxylic acid estersecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativequinic acid |
|---|
