| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:25 UTC |
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| Update Date | 2025-03-25 00:53:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199911 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N2O |
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| Molecular Mass | 212.095 |
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| SMILES | Cn1cncc1C=CC(=O)c1ccccc1 |
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| InChI Key | JQXQBQKDLSEJIF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoyl derivatives |
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| Direct Parent | benzoyl derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha,beta-unsaturated ketonesaryl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundbenzoylalpha,beta-unsaturated ketoneketoneorganic oxideorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundaryl ketoneazolen-substituted imidazole |
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