| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:02 UTC |
|---|
| Update Date | 2025-03-25 01:01:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02249488 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C29H31NO7 |
|---|
| Molecular Mass | 505.2101 |
|---|
| SMILES | COc1cc(C=CC(=O)OC2C=CC3C4Cc5ccc(OC)c6c5C3(CCN4C)C2O6)cc(OC)c1O |
|---|
| InChI Key | BHQIOMLGKVWAGV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | alkaloids and derivatives |
|---|
| Class | morphinans |
|---|
| Subclass | morphinans |
|---|
| Direct Parent | morphinans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersamino acids and derivativesanisolesazacyclic compoundscarbonyl compoundscoumaransdimethoxybenzenesenoate estersfatty acid estershydrocarbon derivativeshydroxycinnamic acidsmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenanthrenes and derivativesphenoxy compoundspiperidinestetralinstrialkylamines |
|---|
| Substituents | fatty acyltetralinphenol ethermonocyclic benzene moietycarbonyl groupetheramino acid or derivativesmethoxyphenolalkyl aryl ethercarboxylic acid derivativehydroxycinnamic acid or derivativesdimethoxybenzenealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundcoumaranenoate esterphenanthreneazacycletertiary aliphatic aminemethoxybenzenehydroxycinnamic acidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolecarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundmorphinanamineorganooxygen compound |
|---|
