Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:19:33 UTC |
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Update Date | 2025-03-21 18:36:10 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00109267 |
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Frequency | 24.5 |
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Structure | |
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Chemical Formula | C12H18FNO2 |
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Molecular Mass | 227.1322 |
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SMILES | CC(C)NCC(O)COc1ccc(F)cc1 |
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InChI Key | XSVSMJQQZWOCQT-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 | phenol ethers |
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Subclass | phenol ethers |
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Direct Parent | phenol ethers |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | alkyl aryl ethersaryl fluoridesdialkylaminesfluorobenzeneshydrocarbon derivativesorganofluoridesorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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Substituents | aryl fluoridephenol ethermonocyclic benzene moietyetheralkyl aryl etherorganohalogen compoundfluorobenzeneorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic amineorganofluoridesecondary aminearyl halidearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compoundamine |
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