| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:11 UTC |
|---|
| Update Date | 2025-03-25 00:46:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153931 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C27H36N2O8 |
|---|
| Molecular Mass | 516.2472 |
|---|
| SMILES | COc1ccc2c3c1CC1C4C=CC(OC5OC(C(=O)O)C(O)C(O)C5O)C(N(C)CC2)C34CCN1C |
|---|
| InChI Key | DZFHGWOTAZIAKC-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 | acetalsalkyl aryl ethersamino acidsanisolesazacyclic compoundsazepinesbenzazepinesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenanthrenes and derivativespiperidinespyran carboxylic acidssecondary alcoholstetralinstrialkylamines |
|---|
| Substituents | tetralinphenol ethercarbonyl groupethercarboxylic acidglucuronic acid or derivativesamino acid or derivativesamino acido-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxanepiperidinetertiary amineorganoheterocyclic compoundalcoholphenanthrenepyran carboxylic acid or derivativesazacycletertiary aliphatic aminehydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundazepinepyrananisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundbenzazepinemorphinanamineorganooxygen compound |
|---|
