| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:10:46 UTC |
|---|
| Update Date | 2025-03-25 00:57:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02226116 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C26H29NO11 |
|---|
| Molecular Mass | 531.1741 |
|---|
| SMILES | CC(=O)NC1C(Oc2cc(CC3C(=O)OCC3Cc3cccc(O)c3)ccc2O)OC(C(=O)O)C(O)C1O |
|---|
| InChI Key | MWLWABCENNQYRT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lignans, neolignans and related compounds |
|---|
| Class | lignan glycosides |
|---|
| Subclass | lignan glycosides |
|---|
| Direct Parent | lignan glycosides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsacetamidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdibenzylbutyrolactone lignansdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativeslignan lactonesmonosaccharidesn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundlignan glycosidedibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidn-acyl-alpha-hexosaminelignan lactonelactonebeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compound9,9p-epoxylignanoxaneorganoheterocyclic compoundacetamide1,2-diolalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupgamma butyrolactoneoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrancarboxylic acid esterfuranoid lignansecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativetetrahydrofuran lignanbenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
