| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:58 UTC |
|---|
| Update Date | 2025-03-25 00:46:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153404 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO |
|---|
| Molecular Mass | 189.1154 |
|---|
| SMILES | COc1ccc2c(c1)CN1CCC1C2 |
|---|
| InChI Key | KQVJPHFVIBDXRU-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 | alkyl aryl ethersanisolesaralkylaminesazacyclic compoundsazetidineshydrocarbon derivativesorganopnictogen compoundstetrahydroisoquinolinestrialkylamines |
|---|
| Substituents | phenol etheretherazacycletertiary aliphatic aminealkyl aryl etheraralkylamineazetidineorganic oxygen compoundaromatic heteropolycyclic compoundanisolebenzazocineorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganoheterocyclic compoundorganooxygen compound |
|---|
