| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:07 UTC |
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| Update Date | 2025-03-25 00:46:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158266 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11F3N2O4 |
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| Molecular Mass | 304.0671 |
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| SMILES | O=C(O)CNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 |
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| InChI Key | NDQJLUQILKLTTE-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 acid amidesalpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdipeptideshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestrifluoromethylbenzenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylorganohalogen compoundalpha peptidebenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidetrifluoromethylbenzenealpha-amino acid amidealkyl fluorideorganofluoridehippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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