| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:06 UTC |
|---|
| Update Date | 2025-03-21 18:35:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00108158 |
|---|
| Frequency | 24.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H11NO3 |
|---|
| Molecular Mass | 169.0739 |
|---|
| SMILES | COc1ccc(C(O)CO)cn1 |
|---|
| InChI Key | KSFMMZOUBVQHDM-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 | 1,2-diols2-halopyridinesalkyl aryl ethersaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholetheraromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinealkyl aryl etherorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundprimary alcoholorganooxygen compound1,2-diol |
|---|
