| 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 | DMID02178080 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11N3 |
|---|
| Molecular Mass | 185.0953 |
|---|
| SMILES | c1ccc2c(C3=NCCN3)[nH]cc2c1 |
|---|
| InChI Key | GISOVYUVRGRDRX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isoindoles and derivatives |
|---|
| Subclass | isoindoles |
|---|
| Direct Parent | isoindoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amidinesazacyclic compoundsbenzenoidscarboximidamidesheteroaromatic compoundshydrocarbon derivativesimidazolinesimidolactamsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
|---|
| Substituents | azacycleisoindoleheteroaromatic compoundorganic 1,3-dipolar compoundamidinecarboximidamidepropargyl-type 1,3-dipolar organic compound2-imidazolinearomatic heteropolycyclic compoundimidazolinepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactam |
|---|
