| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:50:50 UTC |
|---|
| Update Date | 2025-03-21 18:02:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00040518 |
|---|
| Frequency | 85.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H11N2O+ |
|---|
| Molecular Mass | 151.0866 |
|---|
| SMILES | Cc1cc(C(N)=O)c[n+](C)c1 |
|---|
| InChI Key | VNTJABJRZMKZHN-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridinecarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-methylpyridinium compoundsnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesvinylogous amiden-methylpyridiniumaromatic heteromonocyclic compoundazacyclepolyhalopyridinenicotinamideheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
|---|
