| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:16 UTC |
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| Update Date | 2025-03-25 00:48:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169914 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H23BrN2O2 |
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| Molecular Mass | 402.0943 |
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| SMILES | CCOC(=O)N1CCC(C(c2ccc(Br)cc2)c2cccnc2)CC1 |
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| InChI Key | GHFKZWWFSZIJTC-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 | piperidinecarboxylic acids and derivatives |
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| Direct Parent | piperidinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl bromidesazacyclic compoundsbromobenzenescarbamate esterscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic carbonic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspiperidines |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidcarbonic acid derivativeazacycleheteroaromatic compoundcarbamic acid esterbromobenzenemethylpyridinearyl halidepyridineorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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