| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:57 UTC |
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| Update Date | 2025-03-25 00:54:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203401 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12FNO5 |
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| Molecular Mass | 269.07 |
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| SMILES | O=C(O)CC(NC(=O)Cc1ccccc1F)C(=O)O |
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| InChI Key | VAKYLLSDJOZULQ-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl fluoridescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfluorobenzeneshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amides |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupcarboxylic acidorganohalogen compoundfluorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamiden-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidorganofluoridecarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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