| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:39 UTC |
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| Update Date | 2025-03-25 00:58:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230187 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18ClN3O |
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| Molecular Mass | 279.1138 |
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| SMILES | CN(C)CC(O)CNc1ccnc2cc(Cl)ccc12 |
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| InChI Key | BEFCQKBQGJFERT-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 | quinolines and derivatives |
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| Subclass | haloquinolines |
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| Direct Parent | haloquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols2-halopyridinesaryl chloridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganochloridesorganopnictogen compoundspolyhalopyridinessecondary alcoholssecondary alkylarylaminestrialkylamines |
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| Substituents | polyhalopyridineorganochlorideorganohalogen compoundhaloquinolinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinetertiary aminearyl chloridealcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridinesecondary aminesecondary aliphatic/aromatic aminearyl halidepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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