| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:04 UTC |
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| Update Date | 2025-03-25 00:45:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151276 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7HCl2N3O |
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| Molecular Mass | 212.9497 |
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| SMILES | N#Cc1nc(Cl)c(Cl)c(O)c1C#N |
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| InChI Key | YWPJUBREZCDYJK-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-halopyridinesaryl chloridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesnitrilesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | aryl chloridenitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineorganochlorideheteroaromatic compoundhydroxypyridineorganohalogen compoundaryl halide3-pyridinecarbonitrileorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundcarbonitrileorganooxygen compound |
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