| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:24 UTC |
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| Update Date | 2025-03-25 00:51:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186243 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H23FN2O2 |
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| Molecular Mass | 354.1744 |
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| SMILES | NCCCC1(c2ccc(F)cc2)OCc2cc(C3CCC(=O)N3)ccc21 |
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| InChI Key | CLQLYEUKKNYAQS-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 heteropolycyclic compounds |
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| Alternative Parents | aryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkyl ethersfluorobenzeneshydrocarbon derivativesisocoumaranslactamsmonoalkylaminesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenylbutylaminespyrrolespyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | aryl fluoride2-pyrrolidonemonocyclic benzene moietycarbonyl groupetherlactamcarboxylic acid derivativeorganohalogen compounddialkyl etherfluorobenzeneorganic oxidephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrrolidoneazacycleorganofluoride2-phenylpyrrolidinecarboxamide grouparyl halideoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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