| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:11:07 UTC |
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| Update Date | 2025-03-24 20:12:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01374096 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C6H5N3 |
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| Molecular Mass | 119.0483 |
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| SMILES | N#Cc1cccc(N)n1 |
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| InChI Key | KSQSBNSABUZDMI-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 | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsnitrilesorganopnictogen compoundsprimary aminespyridines and derivatives |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundimidolactamaminecarbonitrile |
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