| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:13 UTC |
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| Update Date | 2025-03-25 00:46:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154031 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H16FNO3 |
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| Molecular Mass | 325.1114 |
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| SMILES | COc1ccc2nc(-c3ccc(F)cc3)c(C(C)C(=O)O)cc2c1 |
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| InChI Key | XAJGJJOYLVYXBY-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 | phenylquinolines |
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| Direct Parent | phenylquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersanisolesaryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acidsfluorobenzenesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | aryl fluoridephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidphenylquinolinepolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleorganofluorideheteroaromatic compoundhydroxypyridinemethylpyridinearyl halidemonocarboxylic acid or derivativespyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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