| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:57:31 UTC |
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| Update Date | 2025-03-24 19:49:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01052191 |
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| Frequency | 1.3 |
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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 | Cc1ccncc1C#N |
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| InChI Key | XLAPHZHNODDMDD-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compound3-pyridinecarbonitrileorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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