| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:56:26 UTC |
|---|
| Update Date | 2025-03-21 18:04:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00053753 |
|---|
| Frequency | 60.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H9NO3 |
|---|
| Molecular Mass | 167.0582 |
|---|
| SMILES | COC(=O)c1ccc(OC)nc1 |
|---|
| InChI Key | OVLDWZNVBDRZNN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridine-3-carboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethyl estersmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
|---|
| Substituents | etheraromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidemethyl esterorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundmethylpyridinemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
