| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:46 UTC |
|---|
| Update Date | 2025-03-25 00:56:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02219302 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H26O4 |
|---|
| Molecular Mass | 354.1831 |
|---|
| SMILES | COc1cc(CC2C(=O)OCC2Cc2ccc(C(C)C)cc2)ccc1O |
|---|
| InChI Key | UQNZUMUSQJMBJJ-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 ethersanisolesaromatic monoterpenoidscarbonyl compoundscarboxylic acid esterscumenesgamma butyrolactoneshydrocarbon derivativeslignan lactonesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesoxacyclic compoundsphenoxy compoundsphenylpropanesterpene lactonestetrahydrofurans |
|---|
| Substituents | monoterpenoidphenol ethermonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidetheraromatic heteromonocyclic compounddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolp-cymenealkyl aryl ethercarboxylic acid derivativelignan lactonelactonephenylpropaneterpene lactoneorganic oxidecumeneorganoheterocyclic compoundtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaromatic monoterpenoid |
|---|
