| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:47 UTC |
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| Update Date | 2025-03-21 18:40:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128917 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C25H26BrClN2O |
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| Molecular Mass | 484.0917 |
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| SMILES | OC1(c2ccc(Cl)cc2)CCN(CCC(c2ccc(Br)cc2)c2ccccn2)CC1 |
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| InChI Key | ZKETYFCFLCOEIM-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 | phenylpiperidines |
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| Direct Parent | phenylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl bromidesaryl chloridesazacyclic compoundsbromobenzeneschlorobenzenesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganobromidesorganochloridesorganopnictogen compoundstertiary alcoholstrialkylamines |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundorganochlorideorganohalogen compoundorganonitrogen compoundorganopnictogen compound2-halopyridinetertiary aminearyl chloridechlorobenzenealcoholazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinebromobenzenearyl halidetertiary alcoholpyridineorganic oxygen compoundphenylpiperidineorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromideamineorganooxygen compound |
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