| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:41 UTC |
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| Update Date | 2025-03-21 18:38:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119274 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C6H4BrNO2 |
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| Molecular Mass | 200.9425 |
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| SMILES | O=C(O)c1ccc(Br)nc1 |
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| InChI Key | JDJBRMNTXORYEN-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-halopyridinesaryl bromidesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridinecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinearyl halidemonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativeorganic nitrogen compoundaryl bromideorganooxygen compound |
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