| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:50 UTC |
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| Update Date | 2025-03-21 18:30:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081047 |
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| Frequency | 35.8 |
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| Structure | |
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| Chemical Formula | C12H8FNO2 |
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| Molecular Mass | 217.0539 |
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| SMILES | O=C(O)c1cccc(-c2ccc(F)cc2)n1 |
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| InChI Key | WEEVXEKXCIBZMB-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 | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridine-2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl fluoridesazacyclic compoundscarboxylic acidsfluorobenzenesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | aryl fluoridemonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleorganofluorideheteroaromatic compoundhydroxypyridinearyl halidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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