| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:14 UTC |
|---|
| Update Date | 2025-03-25 00:56:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02218058 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H13NO |
|---|
| Molecular Mass | 163.0997 |
|---|
| SMILES | Cc1ccc(C(C)C)nc1C=O |
|---|
| InChI Key | HFMMZEXVDHITMY-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 derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine carboxaldehydes |
|---|
| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundaldehydemethylpyridineorganic oxide2-pyridine carboxaldehydearyl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
|---|
