| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:48 UTC |
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| Update Date | 2025-03-25 00:53:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203049 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H8BrNO |
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| Molecular Mass | 260.9789 |
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| SMILES | O=C(c1ccncc1)c1ccc(Br)cc1 |
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| InChI Key | RVVUXTXBVYRBRR-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 bromidesaryl ketonesazacyclic compoundsbenzoyl derivativesbromobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridinecarboxylic acids and derivatives |
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| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundbenzoylorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacyclearyl-phenylketoneheteroaromatic compoundbromobenzenearyl halidepyridineorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromide |
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