| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:57 UTC |
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| Update Date | 2025-03-21 18:34:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100365 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C7H4N2O2 |
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| Molecular Mass | 148.0273 |
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| SMILES | N#Cc1ncccc1C(=O)O |
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| InChI Key | XKTPVUNCEFBYHP-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 | pyridine-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | nitrilecarboxylic acidaromatic heteromonocyclic compoundazacyclepyridine-3-carboxylic acidpolyhalopyridineheteroaromatic compoundhydroxypyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundcarbonitrileorganooxygen compound |
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