| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:13:51 UTC |
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| Update Date | 2025-03-24 21:05:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01667206 |
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| Frequency | 0.7 |
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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 | COc1ccc(C#N)nc1 |
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| InChI Key | XUGRSPXJFBZQSS-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 | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | ethernitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundmethylpyridinealkyl aryl etherorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundcarbonitrileorganooxygen compound |
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