| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:40:57 UTC |
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| Update Date | 2025-03-24 20:51:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01588515 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C8H5N3 |
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| Molecular Mass | 143.0483 |
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| SMILES | N#Cc1c[nH]c2cccnc12 |
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| InChI Key | XURZLRKJXZOAGB-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 heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundspyridines and derivativespyrroles |
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| Substituents | nitrileazacyclepolyhalopyridineheteroaromatic compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundcarbonitrile |
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