| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:13 UTC |
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| Update Date | 2025-03-25 00:54:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208637 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18F3NO3 |
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| Molecular Mass | 305.1239 |
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| SMILES | CC(C)(C)c1cc(CC(N)C(=O)O)cc(C(F)(F)F)c1O |
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| InChI Key | BRNUHNYIHXKODT-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenolsphenylalanine and derivativesphenylpropanesphenylpropanoic acidstrifluoromethylbenzenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganohalogen compoundphenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidetrifluoromethylbenzeneamphetamine or derivativestyrosine or derivativesalkyl fluorideorganofluoridearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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