| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:46 UTC |
|---|
| Update Date | 2025-03-21 18:28:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00071161 |
|---|
| Frequency | 42.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H9NO3 |
|---|
| Molecular Mass | 167.0582 |
|---|
| SMILES | CC(O)c1ncccc1C(=O)O |
|---|
| InChI Key | VTNMPYLZOCKDOJ-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-halopyridinesaromatic alcoholsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
|---|
| Substituents | aromatic alcoholcarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridinecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
