| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:14 UTC |
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| Update Date | 2025-03-25 00:52:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194882 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H21ClN2O3 |
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| Molecular Mass | 384.1241 |
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| SMILES | CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3COc3ncccc32)CC1 |
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| InChI Key | MEKSLUYYVRLCCH-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-halopyridinesalkyl aryl ethersaryl chloridesazacyclic compoundsbenzenoidscarbamate esterscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspiperidinespolyhalopyridines |
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| Substituents | carbonyl groupetherpolyhalopyridineorganochloridealkyl aryl etherorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acid2-halopyridinearyl chloridecarbonic acid derivativeazacycleheteroaromatic compoundcarbamic acid estermethylpyridinearyl halideoxacyclepyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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