| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:37 UTC |
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| Update Date | 2025-03-21 18:02:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037658 |
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| Frequency | 103.3 |
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| Structure | |
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| Chemical Formula | C6H4N2O |
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| Molecular Mass | 120.0324 |
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| SMILES | N#Cc1ccc(O)nc1 |
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| InChI Key | CCQUUHVUQQFTGV-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-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridine3-pyridinecarbonitrileorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundcarbonitrileorganooxygen compound |
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