| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:20 UTC |
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| Update Date | 2025-03-21 17:59:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018285 |
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| Frequency | 226.9 |
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| Structure | |
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| Chemical Formula | C12H9NO |
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| Molecular Mass | 183.0684 |
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| SMILES | O=C(c1ccccc1)c1ccccn1 |
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| InChI Key | GCSHUYKULREZSJ-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 derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridinecarboxylic acids and derivatives |
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| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundazacyclearyl-phenylketoneheteroaromatic compoundbenzoylorganic oxidepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganoheterocyclic compound |
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