| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:59:44 UTC |
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| Update Date | 2025-03-24 20:58:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01633017 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H5N3O |
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| Molecular Mass | 135.0433 |
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| SMILES | N#Cc1ccc[n+]([O-])c1N |
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| InChI Key | VLJQIVOFIWUHRB-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 derivativesnitrilesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary amines |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundorganic oxide3-pyridinecarbonitrileorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundaminecarbonitrile |
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