| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:02 UTC |
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| Update Date | 2025-03-25 00:45:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148839 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5F3N2O2 |
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| Molecular Mass | 194.0303 |
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| SMILES | O=C(O)Cn1cncc1C(F)(F)F |
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| InChI Key | URJKCMKKQCSKRR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundalpha-amino acid or derivativesorganohalogen compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
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