| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:48:13 UTC |
|---|
| Update Date | 2025-03-21 18:01:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00034241 |
|---|
| Frequency | 105.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H26O9 |
|---|
| Molecular Mass | 398.1577 |
|---|
| SMILES | CC(C(=O)OC1OC(C(=O)O)C(O)C(O)C1O)c1ccc(C(O)C(C)C)cc1 |
|---|
| InChI Key | WFFCBXYGNUWJKK-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 alcoholsaromatic monoterpenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonocyclic monoterpenoidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenylpropanespyran carboxylic acidssecondary alcohols |
|---|
| Substituents | aromatic alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidep-cymenecarboxylic acid derivativepyran carboxylic acidphenylpropane1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidaromatic monoterpenoid |
|---|
