| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:45 UTC |
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| Update Date | 2025-03-25 00:48:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168728 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20BrNO2 |
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| Molecular Mass | 337.0677 |
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| SMILES | CC(C)C(=O)N1CCC(C(=O)c2ccc(Br)cc2)CC1 |
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| InChI Key | WZLNMIFSMIYGNZ-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 | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesaryl bromidesazacyclic compoundsbenzoyl derivativesbromobenzenescarboxylic acids and derivativeshydrocarbon derivativesn-acylpiperidinesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundbenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpiperidineorganoheterocyclic compoundazacyclebromobenzenecarboxamide grouparyl haliden-acyl-piperidineorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromidealkyl-phenylketone |
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