| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:45 UTC |
|---|
| Update Date | 2025-03-25 00:47:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02161870 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C25H26O18 |
|---|
| Molecular Mass | 614.1119 |
|---|
| SMILES | O=C(O)C1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)oc4c3=O)C(O)C(O)C2O)C(O)C(O)C1O |
|---|
| InChI Key | NCBKANPMQMKKLS-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 heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfuransglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyranones and derivativessecondary alcohols |
|---|
| Substituents | furanmonocyclic benzene moietycarbonyl groupcarboxylic acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoid |
|---|
