| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:13 UTC |
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| Update Date | 2025-03-25 00:56:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218035 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO |
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| Molecular Mass | 211.0997 |
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| SMILES | Cc1ccc(C(=O)c2ccccn2)cc1C |
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| InChI Key | NETHQVWMLWXEMM-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 derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridinecarboxylic acids and derivativeso-xylenes |
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| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundazacyclearyl-phenylketoneheteroaromatic compoundbenzoylmethylpyridinexyleneorganic oxideo-xylenepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganoheterocyclic compound |
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