| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:49 UTC |
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| Update Date | 2025-03-21 18:06:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066476 |
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| Frequency | 45.9 |
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| Structure | |
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| Chemical Formula | C17H17FN2O4 |
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| Molecular Mass | 332.1172 |
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| SMILES | CC1COc2c(N3CCCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 |
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| InChI Key | KDGPWGOSVXEJJF-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-halopyridinesalkyl aryl ethersamino acidsaminoquinolines and derivativesaryl fluoridesazacyclic compoundsbenzenoidsbenzoxazinescarboxylic acidsdialkylarylaminesfluoroquinoloneshaloquinolinesheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyridine-3-carboxylic acidspyrrolidinesvinylogous amides |
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| Substituents | aryl fluoridepyridine carboxylic acid or derivativesethercarboxylic acidamino acid or derivativesamino acidpyridine-3-carboxylic acidpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundquinoline-3-carboxylic acidhaloquinolineorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundfluoroquinolone2-halopyridinedialkylarylaminepyrrolidinetertiary aminevinylogous amideazacycleorganofluorideheteroaromatic compoundhydroxypyridinedihydroquinolinebenzoxazinemethylpyridinearyl halideoxacyclemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundpyridine carboxylic acidaminoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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