| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:05 UTC |
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| Update Date | 2025-03-25 00:49:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171777 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H23ClN2O |
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| Molecular Mass | 330.1499 |
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| SMILES | CN(C)CCCC1(c2ccc(Cl)cc2)OCCc2ncccc21 |
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| InChI Key | GRWFBUPACXWXAK-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 | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl chloridesazacyclic compoundschlorobenzenesdialkyl ethersheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganochloridesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyranopyridinestrialkylamines |
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| Substituents | etherpolyhalopyridineorganochlorideorganohalogen compounddialkyl etherphenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinetertiary amineorganoheterocyclic compoundaryl chloridechlorobenzeneazacycleheteroaromatic compoundtertiary aliphatic aminemethylpyridinearyl halideoxacyclepyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenepyranopyridineamineorganooxygen compound |
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