| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:34 UTC |
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| Update Date | 2025-03-25 00:46:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154850 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H21BrN2O2 |
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| Molecular Mass | 388.0786 |
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| SMILES | CC(=O)N1CCC(C(O)(c2ccc(Br)cc2)c2ccccn2)CC1 |
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| InChI Key | RSPOXLPVIUPWMO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | piperidines |
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| Subclass | n-acylpiperidines |
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| Direct Parent | n-acylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesaromatic alcoholsaryl bromidesazacyclic compoundsbromobenzenescarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundstertiary alcoholstertiary carboxylic acid amides |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativeorganohalogen compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compound2-halopyridineacetamidealcoholazacycleheteroaromatic compoundhydroxypyridinebromobenzenemethylpyridinecarboxamide grouparyl haliden-acyl-piperidinetertiary alcoholpyridineorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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