| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:37:00 UTC |
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| Update Date | 2025-03-21 18:46:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00150279 |
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| Frequency | 16.2 |
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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 | Cn1ccc(=O)c(C#N)c1 |
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| InChI Key | VVNHMAOQCMDJHT-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 compoundscyclic ketonesheteroaromatic compoundshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidenitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundcyclic ketoneorganic oxide3-pyridinecarbonitrileorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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