| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:40 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177800 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12FN |
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| Molecular Mass | 189.0954 |
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| SMILES | Cc1ccc(C)n1-c1ccc(F)cc1 |
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| InChI Key | AIWFQKZWZOYVMK-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 derivativesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | aryl fluoridearomatic heteromonocyclic compoundazacycleorganofluorideheteroaromatic compoundsubstituted pyrroleorganohalogen compoundaryl halidefluorobenzenepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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