| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:34 UTC |
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| Update Date | 2025-03-21 18:02:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039872 |
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| Frequency | 87.0 |
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| Structure | |
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| Chemical Formula | C18H22FN3O3 |
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| Molecular Mass | 347.1645 |
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| SMILES | CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(CO)cn1c23 |
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| InChI Key | BIRXERWRKGYYLM-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 | quinolones and derivatives |
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| Direct Parent | fluoroquinolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersaminoquinolines and derivativesaromatic alcoholsaryl fluoridesazacyclic compoundsbenzenoidsbenzoxazinesdialkylarylamineshaloquinolinesheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmethylpyridinesn-arylpiperazinesn-methylpiperazinesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinestrialkylaminesvinylogous amides |
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| Substituents | aryl fluoridearomatic alcoholetherpolyhalopyridinealkyl aryl etherorganohalogen compoundhaloquinolineorganic oxidepiperazinearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundfluoroquinolone2-halopyridinedialkylarylaminetertiary aminealcoholvinylogous amideazacycleorganofluoriden-alkylpiperazineheteroaromatic compoundtertiary aliphatic aminehydroxypyridinedihydroquinolinen-methylpiperazinebenzoxazinemethylpyridinearyl halideoxacycledihydroquinolonepyridineorganic oxygen compound1,4-diazinaneaminoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundaminen-arylpiperazineorganooxygen compound |
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