| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:54 UTC |
|---|
| Update Date | 2025-03-25 00:53:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02201081 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H20O8 |
|---|
| Molecular Mass | 400.1158 |
|---|
| SMILES | COc1cc(C2OC(c3ccc4c(c3)OCO4)C3COC(=O)C23)cc(OC)c1O |
|---|
| InChI Key | LCPYOZPGHNXVJI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lignans, neolignans and related compounds |
|---|
| Class | lignan lactones |
|---|
| Subclass | lignan lactones |
|---|
| Direct Parent | lignan lactones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 7,7'-epoxylignansacetalsalkyl aryl ethersanisolesbenzodioxolescarbonyl compoundscarboxylic acid estersdialkyl ethersdimethoxybenzenesfuran lignansfurofuran lignansfurofuransgamma butyrolactoneshydrocarbon derivativesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherfurofuran lignan skeletonmethoxyphenolalkyl aryl ethercarboxylic acid derivativedialkyl etherlignan lactonelactonedimethoxybenzeneorganic oxideacetalaromatic heteropolycyclic compoundfurofuranorganoheterocyclic compoundbenzodioxoletetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclefuran lignan skeletonmonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolecarboxylic acid esterfuranoid lignanphenolhydrocarbon derivativetetrahydrofuran lignanbenzenoidphenoxy compound7,7p-epoxylignanorganooxygen compound |
|---|
