| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:57 UTC |
|---|
| Update Date | 2025-03-21 18:33:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00097944 |
|---|
| Frequency | 28.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14N2 |
|---|
| Molecular Mass | 186.1157 |
|---|
| SMILES | CC1c2cc(C#N)ccc2CCN1C |
|---|
| InChI Key | JZKXTIQULDZUOC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | tetrahydroisoquinolines |
|---|
| Subclass | tetrahydroisoquinolines |
|---|
| Direct Parent | tetrahydroisoquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aralkylaminesazacyclic compoundsbenzenoidshydrocarbon derivativesnitrilesorganopnictogen compoundstrialkylamines |
|---|
| Substituents | nitrileazacycletertiary aliphatic aminearalkylaminearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminecarbonitriletertiary amine |
|---|
