| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:58:17 UTC |
|---|
| Update Date | 2025-03-25 00:52:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02197257 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15NO2 |
|---|
| Molecular Mass | 193.1103 |
|---|
| SMILES | CCC(=O)c1c(CC)ncc(O)c1C |
|---|
| InChI Key | ZBUPDTZDSJQTMR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | halopyridines |
|---|
| Direct Parent | polyhalopyridines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesaryl alkyl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridineketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compoundaryl ketone |
|---|
