| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:37 UTC |
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| Update Date | 2025-03-21 18:28:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070824 |
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| Frequency | 42.4 |
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| Structure | |
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| Chemical Formula | C10H8F3NO3 |
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| Molecular Mass | 247.0456 |
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| SMILES | O=C(O)CNC(=O)c1ccc(C(F)(F)F)cc1 |
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| InChI Key | BSDJCHNAUGZKFS-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestrifluoromethylbenzenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylorganohalogen compoundbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidetrifluoromethylbenzenealkyl fluorideorganofluoridehippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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