| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:58:40 UTC |
|---|
| Update Date | 2025-03-21 18:05:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00059005 |
|---|
| Frequency | 53.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12N2O |
|---|
| Molecular Mass | 164.095 |
|---|
| SMILES | CCCc1ncccc1C(N)=O |
|---|
| InChI Key | XZAYQIKMWYOKFQ-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-halopyridinesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesnicotinamidesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amides |
|---|
| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundazacyclepolyhalopyridinenicotinamideheteroaromatic compoundmethylpyridinecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
|---|
