| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:26 UTC |
|---|
| Update Date | 2025-03-25 00:59:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02234304 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H12N2 |
|---|
| Molecular Mass | 196.1 |
|---|
| SMILES | Cc1c[nH]c2c1ccc1ccnc(C)c12 |
|---|
| InChI Key | YCMDDLIDKVIYJR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isoquinolines and derivatives |
|---|
| Subclass | isoquinolines and derivatives |
|---|
| Direct Parent | isoquinolines and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridines3-methylindolesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmethylpyridinesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrroles |
|---|
| Substituents | 3-methylindoleazacycleindolepolyhalopyridineheteroaromatic compoundindole or derivativesmethylpyridinepyridinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compound |
|---|
