| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:04 UTC |
|---|
| Update Date | 2025-03-21 18:39:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00124798 |
|---|
| Frequency | 20.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15NO3 |
|---|
| Molecular Mass | 209.1052 |
|---|
| SMILES | Cc1ncc(CC(C)C)c(C(=O)O)c1O |
|---|
| InChI Key | ZLBFUZPZIMOODT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridinecarboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesvinylogous acids |
|---|
| Substituents | carboxylic acidaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinecarboxylic acid derivativevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundpyridine carboxylic acidorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compound2-halopyridineorganic nitrogen compoundorganooxygen compound |
|---|
