| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:04 UTC |
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| Update Date | 2025-03-25 00:53:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199122 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16NO2+ |
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| Molecular Mass | 230.1176 |
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| SMILES | O=C(O)CCCC[n+]1cccc2ccccc21 |
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| InChI Key | QFWMBQGJHBSVBT-UHFFFAOYSA-O |
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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 compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganic cationorganooxygen compound |
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