| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:48 UTC |
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| Update Date | 2025-03-25 01:02:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253469 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5F3N4O |
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| Molecular Mass | 218.0415 |
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| SMILES | Nc1nc(=O)c2[nH]cc(C(F)(F)F)c2[nH]1 |
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| InChI Key | FBQBVCAILZHHKJ-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 | pyrrolopyrimidines |
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| Subclass | pyrrolopyrimidines |
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| Direct Parent | pyrrolopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidonespyrrolesvinylogous amides |
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| Substituents | vinylogous amideazacyclealkyl fluorideorganofluorideheteroaromatic compoundpyrimidoneorganohalogen compoundpyrimidinepyrrolopyrimidineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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