| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:17:58 UTC |
|---|
| Update Date | 2025-03-25 01:00:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02242329 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H24O8 |
|---|
| Molecular Mass | 380.1471 |
|---|
| SMILES | CC(C)Cc1ccc(C(=O)C(=O)OC2CC(O)(C(=O)O)CC(O)C2O)cc1 |
|---|
| InChI Key | ANDFIFINOJXUDR-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 | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesalpha-keto acids and derivativesaryl ketonesbenzoyl derivativescarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenylpropanestertiary alcohols |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidbenzoylcarboxylic acid derivativeketonephenylpropaneorganic oxidealpha-keto acidcyclohexanolhydroxy acidaromatic homomonocyclic compoundtertiary alcoholketo acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidaryl ketonequinic acid |
|---|
