Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:51:28 UTC |
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Update Date | 2025-03-25 00:50:35 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02181870 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C12H9NO5 |
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Molecular Mass | 247.0481 |
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SMILES | O=C(O)C(C(=O)O)c1ccc2cccc(O)c2n1 |
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InChI Key | SQSXFEUUEILTFA-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 | quinolines and derivatives |
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Subclass | 8-hydroxyquinolines |
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Direct Parent | 8-hydroxyquinolines |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzenoidscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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Substituents | carbonyl groupcarboxylic acidpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridine8-hydroxyquinolineazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidpyridineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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