| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:51 UTC |
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| Update Date | 2025-03-25 00:51:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184967 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H5F3N2 |
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| Molecular Mass | 222.0405 |
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| SMILES | N#Cc1cnc2cccc(C(F)(F)F)c2c1 |
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| InChI Key | KKAPZDZYDNPCTH-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 | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl fluoridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesnitrilesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivatives |
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| Substituents | nitrileazacyclepolyhalopyridinealkyl fluorideorganofluorideheteroaromatic compoundorganohalogen compoundpyridinearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundalkyl halidehydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundcarbonitrile |
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