| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:42 UTC |
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| Update Date | 2025-03-25 00:53:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202845 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H8F3NO2 |
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| Molecular Mass | 231.0507 |
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| SMILES | O=C1CCC(c2ccc(C(F)(F)F)nc2)O1 |
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| InChI Key | UALXTYMCACFRCJ-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 | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyridines and derivativestetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganohalogen compoundlactoneorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halide2-halopyridineazacycletetrahydrofuranalkyl fluorideorganofluorideheteroaromatic compoundgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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