| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:24 UTC |
|---|
| Update Date | 2025-03-21 18:28:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00072682 |
|---|
| Frequency | 41.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H28O8 |
|---|
| Molecular Mass | 396.1784 |
|---|
| SMILES | COC(=O)C1OC(OC(=O)C(C)c2ccc(CC(C)C)cc2)C(O)C(O)C1O |
|---|
| InChI Key | HAVWZBHWMMXVFG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | o-glucuronides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsaromatic monoterpenoidsbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmethyl estersmonocyclic monoterpenoidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenylpropanespyran carboxylic acidssecondary alcohols |
|---|
| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidep-cymenecarboxylic acid derivativepyran carboxylic acidphenylpropane1-o-glucuronidebeta-hydroxy acidorganic oxidemethyl esteracetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidaromatic monoterpenoid |
|---|
