| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:48 UTC |
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| Update Date | 2025-03-25 00:56:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217062 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19N3O |
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| Molecular Mass | 257.1528 |
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| SMILES | CN1CCCC1CNc1ccnc2cc(O)ccc12 |
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| InChI Key | VLALETCOXSJSLW-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 | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesn-alkylpyrrolidinesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessecondary alkylarylaminestrialkylamines |
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| Substituents | polyhalopyridine1-hydroxy-2-unsubstituted benzenoidaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinepyrrolidinetertiary amineazacyclen-alkylpyrrolidineheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridinesecondary aminesecondary aliphatic/aromatic aminepyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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