| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:45 UTC |
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| Update Date | 2025-03-21 18:35:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107280 |
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| Frequency | 25.1 |
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| Structure | |
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| Chemical Formula | C12H9NO4 |
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| Molecular Mass | 231.0532 |
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| SMILES | O=C(O)c1cccnc1Oc1ccc(O)cc1 |
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| InChI Key | SBJQSNGSVAEMQN-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 | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen 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 acidpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridinepyridine carboxylic acidphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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