| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:52 UTC |
|---|
| Update Date | 2025-03-25 00:53:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02201008 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H19IO4 |
|---|
| Molecular Mass | 438.0328 |
|---|
| SMILES | COc1cc(CC2COC(=O)C2Cc2ccc(I)cc2)ccc1O |
|---|
| InChI Key | ASXFHVGYIIQZBQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lignans, neolignans and related compounds |
|---|
| Class | furanoid lignans |
|---|
| Subclass | tetrahydrofuran lignans |
|---|
| Direct Parent | dibenzylbutyrolactone lignans |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaryl iodidescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesiodobenzeneslignan lactonesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganoiodidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compounddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidelignan lactonelactoneorganic oxideorganoheterocyclic compoundtetrahydrofuranmethoxybenzenegamma butyrolactonearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenolhydrocarbon derivativebenzenoidaryl iodidehalobenzenephenoxy compoundorganooxygen compound |
|---|
