Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:29:48 UTC |
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Update Date | 2025-03-21 18:41:19 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00133628 |
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Frequency | 18.9 |
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Structure | |
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Chemical Formula | C11H11F2NO2 |
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Molecular Mass | 227.0758 |
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SMILES | O=C1CCC(c2ccc(OC(F)F)cc2)N1 |
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InChI Key | LGKBDBQJAKRHMP-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 | pyrrolidines |
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Subclass | phenylpyrrolidines |
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Direct Parent | phenylpyrrolidines |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | alkyl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspyrrolespyrrolidine-2-onessecondary carboxylic acid amides |
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Substituents | 2-pyrrolidonephenol ethermonocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidepyrrolidoneazacyclealkyl fluorideorganofluoride2-phenylpyrrolidinecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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