| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:16 UTC |
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| Update Date | 2025-03-25 01:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249996 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O3 |
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| Molecular Mass | 300.1474 |
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| SMILES | COc1ccc2nccc(C3(O)CCN(C(C)=O)CC3)c2c1 |
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| InChI Key | SIAKIEYJYUPDIX-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 | 2-halopyridinesacetamidesalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesn-acylpiperidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinestertiary alcoholstertiary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupetherpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinepiperidineacetamidealcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupn-acyl-piperidinetertiary alcoholpyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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