| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:08 UTC |
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| Update Date | 2025-03-21 18:34:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103328 |
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| Frequency | 26.3 |
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| Structure | |
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| Chemical Formula | C11H8F3NO |
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| Molecular Mass | 227.0558 |
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| SMILES | COc1ccc2nccc(C(F)(F)F)c2c1 |
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| InChI Key | ARBMFZDZKGOWQN-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 aryl ethersalkyl fluoridesanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | phenol etheretherpolyhalopyridinealkyl aryl etherorganohalogen compoundaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundalkyl halide2-halopyridineazacyclealkyl fluorideorganofluorideheteroaromatic compoundmethylpyridinepyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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