| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:58 UTC |
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| Update Date | 2025-03-21 18:32:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090707 |
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| Frequency | 31.0 |
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| Structure | |
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| Chemical Formula | C15H13NO3 |
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| Molecular Mass | 255.0895 |
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| SMILES | CC(C(=O)O)c1cccc(C(=O)c2ccccn2)c1 |
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| InChI Key | ODJQWOBZYIGPOK-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 derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspyridinecarboxylic acids and derivatives |
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| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundbenzoylcarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacyclearyl-phenylketoneheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridinehydrocarbon derivativebenzenoidorganic nitrogen compound |
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