| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:07 UTC |
|---|
| Update Date | 2025-03-25 00:45:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02149054 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H15N3O3 |
|---|
| Molecular Mass | 297.1113 |
|---|
| SMILES | O=C1NC(c2ccc(C(=O)O)cc2)CC(c2cccnc2)N1 |
|---|
| InChI Key | YRJFIWOBFVQPCM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdiazinanesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidones |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylpyrimidonecarboxylic acid derivativepyrimidine1,3-diazinaneorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidorganoheterocyclic compoundcarbonic acid derivativeazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
