| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:10 UTC |
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| Update Date | 2025-03-21 18:36:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113151 |
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| Frequency | 23.4 |
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| Structure | |
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| Chemical Formula | C6H5ClN2O |
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| Molecular Mass | 156.009 |
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| SMILES | NC(=O)c1ccc(Cl)nc1 |
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| InChI Key | ZIJAZUBWHAZHPL-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-halopyridinesaryl chloridesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesnicotinamidesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amides |
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| Substituents | aryl chlorideprimary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundazacyclepolyhalopyridineorganochloridenicotinamideheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganohalogen compoundaryl halideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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