| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:39 UTC |
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| Update Date | 2025-03-21 18:04:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049688 |
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| Frequency | 66.4 |
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| Structure | |
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| Chemical Formula | C15H19N3O2 |
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| Molecular Mass | 273.1477 |
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| SMILES | CCOC(=O)N1CCC(=C2CNc3cccnc32)CC1 |
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| InChI Key | JFEBMVIMHGIULG-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 | piperidines |
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| Subclass | piperidinecarboxylic acids and derivatives |
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| Direct Parent | piperidinecarboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarbamate esterscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinespolyhalopyridinessecondary alkylarylamines |
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| Substituents | carbonyl groupcarbonic acid derivativeazacyclepolyhalopyridineheteroaromatic compoundcarbamic acid estermethylpyridinesecondary aminesecondary aliphatic/aromatic amineorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativepiperidinecarboxylic acid2-halopyridineorganic nitrogen compoundamineorganooxygen compound |
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