| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:41 UTC |
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| Update Date | 2025-03-21 18:41:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133365 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C15H16N6O2 |
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| Molecular Mass | 312.1335 |
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| SMILES | CC(=O)c1ccc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)cc1 |
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| InChI Key | MNGBXCSLKUOYFY-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 | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetophenonesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminesprimary aminespropargyl-type 1,3-dipolar organic compoundspterins and derivativespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | ketiminemonocyclic benzene moietyaryl alkyl ketoneiminebenzoylpyrimidonepteridinepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundacetophenoneorganopnictogen compoundorganoheterocyclic compoundvinylogous amidepterinazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic aminephenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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