| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:32 UTC |
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| Update Date | 2025-03-21 18:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032617 |
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| Frequency | 111.8 |
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| Structure | |
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| Chemical Formula | C15H16FN3O3 |
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| Molecular Mass | 305.1176 |
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| SMILES | CN1CCN(c2cc3[nH]cc(C(=O)O)c(=O)c3cc2F)CC1 |
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| InChI Key | CGHUPDNZDDNHKZ-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 | quinoline carboxylic acids |
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| Direct Parent | quinoline carboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsaminoquinolines and derivativesaryl fluoridesazacyclic compoundsbenzenoidscarboxylic acidsdialkylarylaminesfluoroquinoloneshaloquinolinesheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesn-arylpiperazinesn-methylpiperazinesorganic oxidesorganofluoridesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-3-carboxylic acidstrialkylaminesvinylogous amides |
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| Substituents | aryl fluoridepyridine carboxylic acid or derivativescarboxylic acidamino acid or derivativesamino acidpyridine-3-carboxylic acidpolyhalopyridinecarboxylic acid derivativeorganohalogen compoundquinoline-3-carboxylic acidhaloquinolineorganic oxidepiperazinearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundfluoroquinolone2-halopyridinedialkylarylaminetertiary aminevinylogous amideazacycleorganofluoriden-alkylpiperazineheteroaromatic compoundtertiary aliphatic aminehydroxypyridinedihydroquinolinen-methylpiperazinemethylpyridinearyl halidemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compound1,4-diazinanepyridine carboxylic acidaminoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundaminen-arylpiperazineorganooxygen compound |
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