| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:19 UTC |
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| Update Date | 2025-03-25 00:48:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167748 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20FNO4 |
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| Molecular Mass | 285.1376 |
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| SMILES | CC(C)NCC(O)COc1ccc(CC(=O)O)cc1F |
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| InChI Key | PUXKLSYLHQGAML-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 ethersamino acidsaryl fluoridescarbonyl compoundscarboxylic acidsdialkylaminesfluorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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| Substituents | aryl fluoridephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid or derivativesamino acidalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic amineorganofluoridesecondary aminearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compoundamine |
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