| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:33:13 UTC |
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| Update Date | 2025-03-24 14:28:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00850703 |
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| Frequency | 1.7 |
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| Structure | |
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| Chemical Formula | C6H6N4 |
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| Molecular Mass | 134.0592 |
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| SMILES | N#Cc1c(N)ccnc1N |
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| InChI Key | MDLOTQSWMPEUNE-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 | pyridines and derivatives |
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| Subclass | 3-pyridinecarbonitriles |
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| Direct Parent | 3-pyridinecarbonitriles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsnitrilesorganopnictogen compoundspolyhalopyridinesprimary amines |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compound3-pyridinecarbonitrileorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundimidolactamaminecarbonitrile |
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