| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:45 UTC |
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| Update Date | 2025-03-21 18:05:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059221 |
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| Frequency | 53.1 |
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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 | Cn1cc(C#N)ccc1=O |
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| InChI Key | XICDFLICODYZJE-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 derivativeslactamsnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridinones |
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| Substituents | nitrilelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxide3-pyridinecarbonitrileorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyridinonecarbonitrileorganooxygen compound |
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