| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:44:34 UTC |
|---|
| Update Date | 2025-03-25 00:48:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02166063 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14N2 |
|---|
| Molecular Mass | 186.1157 |
|---|
| SMILES | CC1Cc2cc(C#N)ccc2CN1C |
|---|
| InChI Key | JEXVFSNGGKZTEB-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 |
|---|
