| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:13:27 UTC |
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| Update Date | 2025-03-24 16:43:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00946522 |
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| Frequency | 1.5 |
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| Structure | |
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| Chemical Formula | C7H6N2O |
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| Molecular Mass | 134.048 |
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| SMILES | COc1cncc(C#N)c1 |
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| InChI Key | DMLPQTWDFZCDTJ-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 | alkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesnitrilesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | ethernitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundmethylpyridinealkyl aryl ether3-pyridinecarbonitrileorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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