| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:47 UTC |
|---|
| Update Date | 2025-03-25 00:46:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157507 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C27H30O12 |
|---|
| Molecular Mass | 546.1737 |
|---|
| SMILES | O=C(O)CCc1cc(CC2C(=O)OCC2Cc2cccc(O)c2)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
|---|
| InChI Key | NTRLENALBNWDFR-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdibenzylbutyrolactone lignansgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativeslignan lactonesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanoic acidspyran carboxylic acidssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compound3-phenylpropanoic-acidlignan glycosidedibenzylbutyrolactoneo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidlignan lactonelactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetal9,9p-epoxylignanoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacycleorganic oxygen compoundpyrancarboxylic acid esterfuranoid lignansecondary alcoholphenolhydrocarbon derivativetetrahydrofuran lignanbenzenoidphenoxy compoundorganooxygen compound |
|---|
