| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:01 UTC |
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| Update Date | 2025-03-25 00:58:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233299 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO |
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| Molecular Mass | 211.0997 |
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| SMILES | O=C1CCC(c2cnc3ccccc3c2)C1 |
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| InChI Key | JCIIHZBUQQBYNJ-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-halopyridinesazacyclic compoundsbenzenoidscyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivatives |
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| Substituents | carbonyl groupazacyclepolyhalopyridineheteroaromatic compoundcyclic ketoneketoneorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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