| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:39:56 UTC |
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| Update Date | 2025-03-21 22:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00580279 |
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| Frequency | 2.8 |
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| Structure | |
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| Chemical Formula | C6H3ClN2 |
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| Molecular Mass | 137.9985 |
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| SMILES | N#Cc1ccc(Cl)nc1 |
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| InChI Key | ORIQLMBUPMABDV-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 derivativesnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | aryl chloridenitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineorganochlorideheteroaromatic compoundorganohalogen compoundaryl halide3-pyridinecarbonitrileorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundcarbonitrile |
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