| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:42 UTC |
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| Update Date | 2025-03-25 01:02:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253249 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16FNO3 |
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| Molecular Mass | 253.1114 |
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| SMILES | O=C(O)C1CCN1CCC(O)c1ccc(F)cc1 |
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| InChI Key | LFVOQYJCMDMDBN-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 acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-aminoalcoholsamino acidsaromatic alcoholsaryl fluoridesazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsfluorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compoundssecondary alcoholstrialkylamines |
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| Substituents | aryl fluoridearomatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidazetidinecarboxylic acidorganohalogen compoundfluorobenzeneorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundalcohol1,3-aminoalcoholazacycleorganofluoridetertiary aliphatic aminearyl halideazetidinemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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