| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:06 UTC |
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| Update Date | 2025-03-25 00:49:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176445 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20ClN3O |
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| Molecular Mass | 305.1295 |
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| SMILES | CN(C)CCC(O)c1cccnc1Nc1ccc(Cl)cc1 |
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| InChI Key | YUZWVOVINGOYJS-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 | pyridines and derivatives |
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| Subclass | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-aminoalcohols2-halopyridinesaromatic alcoholsaryl chloridesazacyclic compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesorganochloridesorganopnictogen compoundssecondary alcoholssecondary aminestrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundpolyhalopyridineorganochlorideorganohalogen compoundorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamtertiary aminearyl chloridechlorobenzenealcohol1,3-aminoalcoholazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridinesecondary aminearyl halideorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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