| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:54 UTC |
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| Update Date | 2025-03-25 00:52:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194115 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7F3N2O |
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| Molecular Mass | 204.051 |
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| SMILES | CNC(=O)c1ccc(C(F)(F)F)cn1 |
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| InChI Key | XMKMNJHTIXZQTE-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 | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridines2-heteroaryl carboxamidesalkyl fluoridesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganohalogen compound2-heteroaryl carboxamideorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halide2-halopyridineazacyclealkyl fluorideorganofluorideheteroaromatic compoundmethylpyridinecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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