| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:00 UTC |
|---|
| Update Date | 2025-03-25 00:46:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153483 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H17NO2 |
|---|
| Molecular Mass | 231.1259 |
|---|
| SMILES | COc1ccc2c(c1)C1CCN(C(C)=O)C1C2 |
|---|
| InChI Key | QIYKGTSGVVEXDL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzazocines |
|---|
| Direct Parent | benzazocines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetamidesalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesindanesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
|---|
| Substituents | phenol ethercarbonyl groupethern-acylpyrrolidinealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrrolidineorganoheterocyclic compoundacetamideazacyclecarboxamide grouporganic oxygen compoundanisolebenzazocineindanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
