| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:27 UTC |
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| Update Date | 2025-03-25 00:57:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225404 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H14N2O4 |
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| Molecular Mass | 322.0954 |
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| SMILES | CC(=O)Nc1ccc(Oc2cc(C(=O)O)nc3ccccc23)cc1 |
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| InChI Key | DPKRCNUNLCHGHV-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 | 2-halopyridinesacetamidesacetanilidesazacyclic compoundscarbonyl compoundscarboxylic acidsdiarylethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundspolyhalopyridinespyridine-2-carboxylic acidssecondary carboxylic acid amides |
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| Substituents | diaryl etherpyridine carboxylic acid or derivativesphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidn-acetylarylaminepolyhalopyridinen-arylamidecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineacetamideazacycleacetanilideheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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