| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:53 UTC |
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| Update Date | 2025-03-25 00:50:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180558 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H11N5O3 |
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| Molecular Mass | 297.0862 |
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| SMILES | COc1ccc(C(=O)c2cnc3nc(N)[nH]c(=O)c3n2)cc1 |
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| InChI Key | JUUPFSOBJPSFJE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl-phenylketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl ketonesazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmethoxybenzenesorganic oxidesorganopnictogen compoundsphenoxy compoundsprimary aminespterins and derivativespyrazine carboxylic acids and derivativespyrimidones |
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| Substituents | phenol ethermonocyclic benzene moietyetherlactambenzoylpyrimidonealkyl aryl etherpteridinepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundpterinazacyclearyl-phenylketoneheteroaromatic compoundmethoxybenzeneanisolepyrazinepyrazine carboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundamine |
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