| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:33 UTC |
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| Update Date | 2025-03-25 00:47:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159197 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5F3N2O |
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| Molecular Mass | 178.0354 |
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| SMILES | OCc1cnc(C(F)(F)F)nc1 |
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| InChI Key | OXTLPDJYINUPDW-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 | pyrimidines and pyrimidine derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganofluoridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic alcoholalcoholaromatic heteromonocyclic compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundorganohalogen compoundpyrimidineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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