| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:14 UTC |
|---|
| Update Date | 2025-03-21 18:36:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00110931 |
|---|
| Frequency | 24.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H8N2O |
|---|
| Molecular Mass | 184.0637 |
|---|
| SMILES | O=C(c1cccnc1)c1cccnc1 |
|---|
| InChI Key | AQLPDLOXKZRZEV-UHFFFAOYSA-N |
|---|
| 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 | aryl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundazacycleheteroaromatic compoundketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaryl ketone |
|---|
