| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:48 UTC |
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| Update Date | 2025-03-21 18:38:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119536 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C13H9NO3 |
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| Molecular Mass | 227.0582 |
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| SMILES | O=C(O)c1cccc(C(=O)c2ccccc2)n1 |
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| InChI Key | MTYBPFJEYWYIJF-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 | carbonyl compounds |
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| Direct Parent | aryl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acids |
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| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinebenzoylcarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacyclearyl-phenylketoneheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridinepyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compound |
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