| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:17 UTC |
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| Update Date | 2025-03-25 00:47:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160818 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12FN3 |
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| Molecular Mass | 265.1015 |
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| SMILES | Nc1ncc(-c2ccccc2)c(-c2ccc(F)cc2)n1 |
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| InChI Key | JWANIGJYDNUWHE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | halobenzenes |
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| Direct Parent | fluorobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl fluoridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganofluoridesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | aryl fluoridearomatic heteromonocyclic compoundazacycleorganofluorideheteroaromatic compoundorganohalogen compoundaryl halidepyrimidinefluorobenzeneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganoheterocyclic compound |
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