| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:50 UTC |
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| Update Date | 2025-03-25 00:59:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237455 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8F3N5O2 |
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| Molecular Mass | 275.063 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(C=C(O)C(F)(F)F)=N2 |
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| InChI Key | NSRGHGHSBFVKGS-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 | pteridines and derivatives |
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| Subclass | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganofluoridesorganooxygen compoundsorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | ketimineiminepyrimidoneorganohalogen compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halidevinylogous amidepterinazacyclealkyl fluorideorganofluorideheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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