| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:29 UTC |
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| Update Date | 2025-03-25 00:46:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156872 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H9NO4 |
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| Molecular Mass | 243.0532 |
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| SMILES | O=C(O)c1ccccc1C(=O)c1ccc[n+]([O-])c1 |
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| InChI Key | NBZYSZKCPIYZME-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 | 1-carboxy-2-haloaromatic compoundsaryl ketonesazacyclic compoundsbenzoic acidsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridinecarboxylic acids and derivativesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundvinylogous amideazacyclearyl-phenylketoneheteroaromatic compoundhydroxypyridinebenzoic acid or derivativesmonocarboxylic acid or derivativespyridinehydrocarbon derivativebenzenoidorganic nitrogen compound |
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