| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:12:42 UTC |
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| Update Date | 2025-03-24 22:37:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01234483 |
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| Frequency | 1.1 |
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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#Cc1ncccc1N |
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| InChI Key | KMHCTFSFWQRZTR-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 derivativesnitrilesorganopnictogen compoundsprimary aminespyridines and derivatives |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundaminecarbonitrile |
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