| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:06:26 UTC |
|---|
| Update Date | 2025-03-25 00:56:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02216181 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H20O6 |
|---|
| Molecular Mass | 272.126 |
|---|
| SMILES | CCCC=CC(=O)OC1CCC(O)(C(=O)O)CC1O |
|---|
| InChI Key | XBROCVKKRLKXDY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | cyclohexanols |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativesdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | enoate esterfatty acylcarbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterfatty acid estertertiary alcoholorganic oxidecarboxylic acid esteraliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivative |
|---|
