| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:46 UTC |
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| Update Date | 2025-03-25 00:59:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237328 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H8ClNO3 |
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| Molecular Mass | 249.0193 |
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| SMILES | O=C(O)c1ccc(Oc2cccc(Cl)c2)nc1 |
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| InChI Key | AAFARUFBYJYAKP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | diarylethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl chloridesazacyclic compoundscarboxylic acidschlorobenzenesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspolyhalopyridinespyridine-3-carboxylic acids |
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| Substituents | diaryl etherpyridine carboxylic acid or derivativesphenol ethermonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridineorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundaryl chloridechlorobenzeneazacycleheteroaromatic compoundhydroxypyridinearyl halidemonocarboxylic acid or derivativespyridinepyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compound |
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