| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:29 UTC |
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| Update Date | 2025-03-25 00:57:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227677 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17N3O2 |
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| Molecular Mass | 271.1321 |
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| SMILES | CC(=O)N1CCN(c2ccnc3ccc(O)cc23)CC1 |
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| InChI Key | XEQYFUQSVYUMEC-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 | diazinanes |
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| Subclass | piperazines |
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| Direct Parent | pyridinylpiperazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridines4-aminoquinolinesacetamidesamino acids and derivativesaminopyridines and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdialkylarylaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineshydroxyquinolinesmethylpyridinesn-arylpiperazinesorganic oxidesorganopnictogen compoundspolyhalopyridinestertiary carboxylic acid amides |
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| Substituents | carbonyl groupamino acid or derivativespolyhalopyridine1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic aminepyridinylpiperazinetertiary carboxylic acid amideorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinedialkylarylamineaminopyridinetertiary amineacetamide4-aminoquinolineazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide grouphydroxyquinolinepyridineorganic oxygen compoundaminoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundaminen-arylpiperazineorganooxygen compound |
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