| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:46 UTC |
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| Update Date | 2025-03-25 00:51:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189409 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21N7O |
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| Molecular Mass | 327.1808 |
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| SMILES | CC(C)c1cc(N2CC3CNc4nc(N)[nH]c(=O)c4N3C2)ccn1 |
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| InChI Key | XTAAOILQFJOCDI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pteridines and derivatives |
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| Subclass | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesaminopyridines and derivativesazacyclic compoundsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesimidazolidinesimidazopyrazinesimidolactamslactamsmethylpyridinesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | imidazolidinelactamimidazopyrazinepolyhalopyridinepyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinedialkylarylamineimidolactamaminopyridinevinylogous amidepterinazacycleheteroaromatic compoundmethylpyridinesecondary aminesecondary aliphatic/aromatic aminepyridineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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