| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:24 UTC |
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| Update Date | 2025-03-25 01:01:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252599 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9ClN2O |
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| Molecular Mass | 232.0403 |
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| SMILES | NC(=O)c1cccnc1-c1ccc(Cl)cc1 |
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| InChI Key | IYSOHERDRNKJAD-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 derivativeschlorobenzenesheteroaromatic compoundshydrocarbon derivativesnicotinamidesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundpolyhalopyridineorganochloridenicotinamidecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinearyl chloridechlorobenzeneazacycleheteroaromatic compoundcarboxamide grouparyl halideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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