| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:11 UTC |
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| Update Date | 2025-03-25 00:49:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172015 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12FNO4 |
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| Molecular Mass | 241.075 |
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| SMILES | CC(=O)NC(Cc1cc(F)ccc1O)C(=O)O |
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| InChI Key | HUVDOQOSLSIHQK-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesalpha amino acidsamphetamines and derivativesaryl fluoridescarbonyl compoundscarboxylic acidsfluorobenzeneshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsp-fluorophenolsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundfluorobenzeneorganic oxide4-halophenolorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideamphetamine or derivativesn-acyl-alpha amino acid or derivatives4-fluorophenoln-acyl-alpha-amino acidorganofluoridecarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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