| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:48 UTC |
|---|
| Update Date | 2025-03-25 00:50:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178079 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H9N |
|---|
| Molecular Mass | 167.0735 |
|---|
| SMILES | c1ccc2[nH]ccc3ccc(c1)c32 |
|---|
| InChI Key | JRGPNTMQLAIGSD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | hydrocarbons |
|---|
| Class | unsaturated hydrocarbons |
|---|
| Subclass | olefins |
|---|
| Direct Parent | azulenes |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivatives |
|---|
| Substituents | azuleneazacyclepolyhalopyridineheteroaromatic compoundpyridinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganoheterocyclic compound |
|---|
