| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:14:07 UTC |
|---|
| Update Date | 2025-03-21 20:50:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00376048 |
|---|
| Frequency | 4.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6N2O |
|---|
| Molecular Mass | 122.048 |
|---|
| SMILES | Nc1ccc(C=O)cn1 |
|---|
| InChI Key | BMNPVMQSUPTGFD-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 | 2-halopyridinesaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminespyridine carboxaldehydes |
|---|
| Substituents | pyridine carboxylic acid or derivatives3-pyridine carboxaldehydearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundaldehydeorganic oxidearyl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundimidolactamamineorganooxygen compound |
|---|
