| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:19 UTC |
|---|
| Update Date | 2025-03-25 00:50:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02183745 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C25H28O12 |
|---|
| Molecular Mass | 520.1581 |
|---|
| SMILES | O=C1OCC(Cc2ccc(O)c(OC3C(O)C(O)C(O)C(O)C3C(=O)O)c2)C1Cc1cc(O)cc(O)c1 |
|---|
| InChI Key | GTJPDUANHHVYTE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lignans, neolignans and related compounds |
|---|
| Class | furanoid lignans |
|---|
| Subclass | tetrahydrofuran lignans |
|---|
| Direct Parent | dibenzylbutyrolactone lignans |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativeslignan lactonesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundsresorcinolstetrahydrofurans |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compounddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeresorcinollignan lactonelactonebeta-hydroxy acidorganic oxideorganoheterocyclic compoundalcoholtetrahydrofurancyclohexanolcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
