| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:05 UTC |
|---|
| Update Date | 2025-03-25 00:59:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02235801 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13N3O3 |
|---|
| Molecular Mass | 247.0957 |
|---|
| SMILES | COc1ccc(Nc2cc(=O)n(C)c(=O)[nH]2)cc1 |
|---|
| InChI Key | QDOWJHQLWKBBFS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | anisoles |
|---|
| Direct Parent | anisoles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmethoxybenzenesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspyrimidonessecondary aminesvinylogous amides |
|---|
| Substituents | monocyclic benzene moietyetherlactamaromatic heteromonocyclic compoundpyrimidonealkyl aryl etherpyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundsecondary aminemethoxybenzeneorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
|---|
