| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:16 UTC |
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| Update Date | 2025-03-21 18:39:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127681 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C12H9NO2 |
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| Molecular Mass | 199.0633 |
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| SMILES | O=C(c1ccccc1)c1ccc[n+]([O-])c1 |
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| InChI Key | IZKZWJNKWJHRGB-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 | aryl ketonesazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridinecarboxylic acids and derivativesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesvinylogous amidemonocyclic benzene moietyaromatic heteromonocyclic compoundazacyclearyl-phenylketoneheteroaromatic compoundbenzoylorganic oxidepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compound |
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