| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:03 UTC |
|---|
| Update Date | 2025-03-25 00:54:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02208225 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C27H32O9 |
|---|
| Molecular Mass | 500.2046 |
|---|
| SMILES | CC(C)c1cccc(CC2COC(=O)C2Cc2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)c1 |
|---|
| InChI Key | VDHJUYWABUTFPF-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 | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscumenesdibenzylbutyrolactone lignansdicarboxylic acids and derivativesgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativeslignan lactonesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanespyran carboxylic acidssecondary alcoholstetrahydrofurans |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundlignan glycosidedibenzylbutyrolactoneo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidlignan lactonelactone1-o-glucuronidephenylpropanebeta-hydroxy acidsaccharideorganic oxideacetal9,9p-epoxylignancumeneoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidgamma butyrolactoneoxacycleorganic oxygen compoundpyrancarboxylic acid esterfuranoid lignansecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativetetrahydrofuran lignanbenzenoidphenoxy compoundorganooxygen compound |
|---|
