| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:57 UTC |
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| Update Date | 2025-03-25 01:02:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253784 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17FN2O |
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| Molecular Mass | 248.1325 |
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| SMILES | O=C(C1CCCN1)N1CCc2cc(F)ccc2C1 |
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| InChI Key | AGAGVLJELHHTMP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid amides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsaryl fluoridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganofluoridesorganopnictogen compoundspyrrolidinecarboxamidestertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | aryl fluoridecarbonyl grouporganohalogen compoundorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic aminealpha-amino acid amideazacycleorganofluoridesecondary aminecarboxamide grouparyl halidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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