| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:42 UTC |
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| Update Date | 2025-03-21 18:03:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042601 |
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| Frequency | 80.2 |
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| Structure | |
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| Chemical Formula | C22H23BrN2O2 |
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| Molecular Mass | 426.0943 |
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| SMILES | CCOC(=O)N1CCC(=C2c3ccc(Br)cc3CCc3cccnc32)CC1 |
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| InChI Key | RSRNVJRXGXNUBR-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 | benzocycloheptapyridines |
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| Subclass | benzocycloheptapyridines |
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| Direct Parent | benzocycloheptapyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl bromidesazacyclic compoundsbenzenoidscarbamate esterscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic carbonic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidspiperidinespolyhalopyridines |
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| Substituents | carbonyl grouppolyhalopyridineorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acid2-halopyridinepiperidinecarbonic acid derivativeazacycleheteroaromatic compoundcarbamic acid estermethylpyridinearyl halidepyridineorganic oxygen compoundbenzocycloheptapyridineorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideorganooxygen compound |
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