| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:34 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202547 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H3F3N2O3 |
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| Molecular Mass | 208.0096 |
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| SMILES | O=C(O)c1cc(C(F)(F)F)nc(=O)[nH]1 |
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| InChI Key | JPXVAGWOEKVVAA-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidones |
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| Substituents | carbonic acid derivativecarboxylic acidaromatic heteromonocyclic compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundpyrimidonecarboxylic acid derivativeorganohalogen compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acidorganooxygen compound |
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