| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 09:17:00 UTC |
|---|
| Update Date | 2025-03-24 20:15:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01387837 |
|---|
| Frequency | 0.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9NO2 |
|---|
| Molecular Mass | 139.0633 |
|---|
| SMILES | COCOc1ccccn1 |
|---|
| InChI Key | IUGSCMVBSMGQAB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | methylpyridines |
|---|
| Direct Parent | methylpyridines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesacetalsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundmethylpyridineorganic oxygen compoundacetalorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
|---|
