| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:58:03 UTC |
|---|
| Update Date | 2025-03-21 18:05:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00057532 |
|---|
| Frequency | 55.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H24O8 |
|---|
| Molecular Mass | 428.1471 |
|---|
| SMILES | COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCCO4)cc(OC)c1OC |
|---|
| InChI Key | QOOPJFYWYAMAGQ-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 | alkyl aryl ethersanisolesaryltetralin lignansbenzo-1,4-dioxanescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesnaphthofuransorganic oxidesoxacyclic compoundspara dioxinsphenoxy compoundssecondary alcoholstetrahydrofuranstetralins |
|---|
| Substituents | tetralinphenol ethermonocyclic benzene moietycarbonyl groupether1-aryltetralin lignanalkyl aryl ethercarboxylic acid derivativelignan lactonelactonebenzodioxaneorganic oxidearomatic heteropolycyclic compoundorganoheterocyclic compoundalcoholbenzo-1,4-dioxanenaphthofurantetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxinanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
