| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:42 UTC |
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| Update Date | 2025-03-25 00:54:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207392 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11FN2O2 |
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| Molecular Mass | 198.0805 |
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| SMILES | Nc1cccc(CC(N)C(=O)O)c1F |
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| InChI Key | MGIGRHDEBOWIRD-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 | alpha amino acidsamino acidsamphetamines and derivativesaryl fluoridescarbonyl compoundscarboxylic acidsfluorobenzeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidorganohalogen compoundfluorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesorganofluoridearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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