| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:26 UTC |
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| Update Date | 2025-03-25 00:55:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213921 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13FN2O2 |
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| Molecular Mass | 212.0961 |
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| SMILES | CCNCC(=O)Nc1ccc(O)c(F)c1 |
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| InChI Key | QUTGTTHFKRMQGN-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsanilidesaryl fluoridescarbonyl compoundscarboxylic acids and derivativesdialkylaminesfluorobenzeneshalophenolshydrocarbon derivativesn-arylamideso-fluorophenolsorganic oxidesorganofluoridesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidn-arylamideorganohalogen compoundfluorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminealpha-amino acid amideorganofluoridesecondary aminecarboxamide group2-fluorophenolaryl halidearomatic homomonocyclic compoundanilide2-halophenolsecondary carboxylic acid amideorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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