| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:09 UTC |
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| Update Date | 2025-03-21 18:41:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132182 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C13H13N5O |
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| Molecular Mass | 255.112 |
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| SMILES | Cc1ccc(C2=Nc3c([nH]c(N)nc3=O)NC2)cc1 |
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| InChI Key | NAYHCMNMISZIPH-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminestoluenesvinylogous amides |
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| Substituents | ketiminemonocyclic benzene moietyiminepyrimidonepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amidepterinazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundtolueneamineorganooxygen compound |
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