| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:20 UTC |
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| Update Date | 2025-03-25 00:45:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149560 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H3F3N4O3 |
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| Molecular Mass | 248.0157 |
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| SMILES | O=C(O)c1cc(=O)n2nc(C(F)(F)F)nc2[nH]1 |
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| InChI Key | AOATXFRSBWUCRP-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 | triazolopyrimidines |
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| Subclass | triazolopyrimidines |
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| Direct Parent | triazolopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidinecarboxylic acidspyrimidonestriazolesvinylogous amides |
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| Substituents | triazolelactamcarboxylic acidpyrimidonecarboxylic acid derivativeorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halidepyrimidine-6-carboxylic acidtriazolopyrimidineazolevinylogous amide1,2,4-triazoleazacyclealkyl fluorideorganofluorideheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativesorganooxygen compound |
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