| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:58 UTC |
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| Update Date | 2025-03-25 00:52:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194272 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H17ClN2 |
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| Molecular Mass | 296.108 |
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| SMILES | CN1CC(=C2c3ccc(Cl)cc3CCc3cccnc32)C1 |
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| InChI Key | LZDDRGFMMDBSHY-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 chloridesazacyclic compoundsazetidinesbenzenoidsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganochloridesorganopnictogen compoundspolyhalopyridinestrialkylamines |
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| Substituents | aryl chlorideazacyclepolyhalopyridineorganochlorideheteroaromatic compoundtertiary aliphatic aminemethylpyridineorganohalogen compoundaryl halideazetidinepyridinearomatic heteropolycyclic compoundbenzocycloheptapyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundaminetertiary amine |
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