| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:06 UTC |
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| Update Date | 2025-03-25 00:54:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206037 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14BrN3O |
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| Molecular Mass | 319.032 |
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| SMILES | NC(=O)NCC(c1ccc(Br)cc1)c1ccccn1 |
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| InChI Key | WIIURYLLZPPYEI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | halobenzenes |
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| Direct Parent | bromobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl bromidesazacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspyridines and derivatives |
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| Substituents | carbonyl groupcarbonic acid derivativearomatic heteromonocyclic compoundazacycleheteroaromatic compoundbromobenzeneorganohalogen compoundaryl halideorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundaryl bromideorganoheterocyclic compoundorganooxygen compound |
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