| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:13 UTC |
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| Update Date | 2025-03-21 18:29:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079514 |
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| Frequency | 36.7 |
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| Structure | |
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| Chemical Formula | C12H7Cl2NO3 |
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| Molecular Mass | 282.9803 |
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| SMILES | O=C(O)c1ccc(Oc2ccc(Cl)cc2Cl)nc1 |
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| InChI Key | FXZTUFAUOLNRRJ-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 acidsdichlorobenzenesheteroaromatic 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 compound1,3-dichlorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundaryl chloridechlorobenzeneazacycleheteroaromatic compoundhydroxypyridinearyl halidemonocarboxylic acid or derivativespyridinepyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compound |
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