| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:47:53 UTC |
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| Update Date | 2025-03-25 00:25:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01318064 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C7H6N2 |
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| Molecular Mass | 118.0531 |
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| SMILES | N#CCc1ccccn1 |
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| InChI Key | UKVQBONVSSLJBB-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 | 2-halopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundspyridines and derivatives |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundcarbonitrile |
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