| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:45:49 UTC |
|---|
| Update Date | 2025-03-21 18:00:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00028583 |
|---|
| Frequency | 131.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13N |
|---|
| Molecular Mass | 171.1048 |
|---|
| SMILES | Cc1ccc2cc(C)c(C)cc2n1 |
|---|
| InChI Key | MMRWJFACJFPXEI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | quinolines and derivatives |
|---|
| Direct Parent | quinolines and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
|---|
| Substituents | azacyclepolyhalopyridineheteroaromatic compoundmethylpyridinepyridinearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compound |
|---|
