| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:37:35 UTC |
|---|
| Update Date | 2025-03-21 17:57:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00009849 |
|---|
| Frequency | 484.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H17NO |
|---|
| Molecular Mass | 239.131 |
|---|
| SMILES | Oc1cccc(CC2NCCc3ccccc32)c1 |
|---|
| InChI Key | AUOTVLYEUVDATD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isoquinolines and derivatives |
|---|
| Subclass | benzylisoquinolines |
|---|
| Direct Parent | benzylisoquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesdialkylamineshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundstetrahydroisoquinolines |
|---|
| Substituents | secondary aliphatic aminemonocyclic benzene moietyazacycle1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidsecondary aminebenzylisoquinolineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
|---|
