| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:33:53 UTC |
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| Update Date | 2025-03-21 21:51:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00423582 |
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| Frequency | 4.2 |
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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#CCc1cccnc1 |
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| InChI Key | OIPHWUPMXHQWLR-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 | pyridines and derivatives |
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| Direct Parent | pyridines and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | nitrilepyridinearomatic heteromonocyclic compoundazacycleheteroaromatic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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