| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:30 UTC |
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| Update Date | 2025-03-25 00:56:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221009 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12N2O3 |
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| Molecular Mass | 280.0848 |
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| SMILES | O=C(O)c1cnc2ccccc2c1Nc1ccccc1O |
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| InChI Key | NDAWMEFBGBLMJV-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 | quinoline carboxylic acids |
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| Direct Parent | quinoline carboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesamino acidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-3-carboxylic acidssecondary aminesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietycarboxylic acidamino acid or derivativesamino acidpyridine-3-carboxylic acidpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativequinoline-3-carboxylic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidsecondary aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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