| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:27 UTC |
|---|
| Update Date | 2025-03-21 18:03:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00046853 |
|---|
| Frequency | 71.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H28O7 |
|---|
| Molecular Mass | 380.1835 |
|---|
| SMILES | CC(C)Cc1ccc(C(C)C(=O)OC2CC(O)(C(=O)O)CC(O)C2O)cc1 |
|---|
| InChI Key | CWVRWZLXAYLHSC-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 derivativesaromatic monoterpenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanestertiary alcohols |
|---|
| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidalpha-hydroxy acidp-cymenecarboxylic acid derivativephenylpropaneorganic oxidecyclohexanolhydroxy acidaromatic homomonocyclic compoundtertiary alcoholcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidaromatic monoterpenoidquinic acid |
|---|
