| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:06 UTC |
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| Update Date | 2025-03-21 18:39:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124895 |
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| Frequency | 20.6 |
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| Structure | |
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| Chemical Formula | C10H10F3NO3 |
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| Molecular Mass | 249.0613 |
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| SMILES | NC(Cc1ccc(O)c(C(F)(F)F)c1)C(=O)O |
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| InChI Key | DPWIMPAXOXJIHA-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl fluoridesalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidstrifluoromethylbenzenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic 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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