| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:02 UTC |
|---|
| Update Date | 2025-03-21 18:33:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00098160 |
|---|
| Frequency | 28.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7NO3 |
|---|
| Molecular Mass | 153.0426 |
|---|
| SMILES | O=C(O)COc1ccccn1 |
|---|
| InChI Key | NLVYFXLILFDECX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | ethers |
|---|
| Direct Parent | alkyl aryl ethers |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganoheterocyclic compound |
|---|
