| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:46 UTC |
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| Update Date | 2025-03-25 00:59:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239568 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5N3O |
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| Molecular Mass | 147.0433 |
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| SMILES | N#Cc1ccnc(C(N)=O)c1 |
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| InChI Key | QCOJUSAJVIURRP-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 | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridines2-heteroaryl carboxamidesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesnitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundcarboxamide groupcarboxylic acid derivative2-heteroaryl carboxamideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundcarbonitrileorganooxygen compound |
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