| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:16 UTC |
|---|
| Update Date | 2025-03-21 18:34:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00101162 |
|---|
| Frequency | 27.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18O9 |
|---|
| Molecular Mass | 306.0951 |
|---|
| SMILES | O=C(O)CCCC(=O)OC1C(O)CC(O)(C(=O)O)CC1O |
|---|
| InChI Key | OXLOIKSWOLLCTG-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 acidscyclohexanolsfatty acid estershydrocarbon derivativesorganic oxidestertiary alcoholstricarboxylic acids and derivatives |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanoltricarboxylic acid or derivativeshydroxy acidcarboxylic acid derivativefatty acid estertertiary alcoholorganic oxidecarboxylic acid estersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativequinic acid |
|---|
