| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:15 UTC |
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| Update Date | 2025-03-25 00:52:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194884 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H23Br2NO2 |
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| Molecular Mass | 503.0096 |
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| SMILES | CCOC(=O)N1CCC(=C2c3ccc(Br)cc3CCc3ccc(Br)cc32)CC1 |
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| InChI Key | QLZZEMDWGPAFOK-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 | dibenzocycloheptenes |
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| Subclass | dibenzocycloheptenes |
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| Direct Parent | dibenzocycloheptenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl bromidesazacyclic compoundscarbamate esterscarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidspiperidines |
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| Substituents | carbonyl groupcarbonic acid derivativeazacyclecarbamic acid esterorganohalogen compounddibenzocycloheptenearyl halideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativepiperidinecarboxylic acidorganic nitrogen compoundpiperidinearyl bromideorganoheterocyclic compoundorganooxygen compound |
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