| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:46 UTC |
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| Update Date | 2025-03-21 17:59:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019258 |
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| Frequency | 213.2 |
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| Structure | |
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| Chemical Formula | C21H23N3O2 |
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| Molecular Mass | 349.179 |
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| SMILES | CCOC(=O)N1CCC(=C2c3ncccc3CCc3cccnc32)CC1 |
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| InChI Key | ZQMSYISQJPRXOM-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 oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinespolyhalopyridines |
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| Substituents | carbonyl groupcarbonic acid derivativeazacyclepolyhalopyridineheteroaromatic compoundcarbamic acid estermethylpyridineorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativepiperidinecarboxylic acid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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