| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:46:57 UTC |
|---|
| Update Date | 2025-03-25 00:49:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02171494 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H27NO4 |
|---|
| Molecular Mass | 369.194 |
|---|
| SMILES | CN(C)CCOc1cccc(CC2C(=O)OCC2Cc2cccc(O)c2)c1 |
|---|
| InChI Key | HWNBMIZJCVDZJP-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersamino acids and derivativescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativeslignan lactonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundstetrahydrofuranstrialkylamines |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundamino acid or derivativesdibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativelignan lactonelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundtetrahydrofurantertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
|---|
