| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:47 UTC |
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| Update Date | 2025-03-25 00:49:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175686 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9F3N4O3 |
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| Molecular Mass | 278.0627 |
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| SMILES | NC(CC(=O)Nc1ccc(C(F)(F)F)nn1)C(=O)O |
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| InChI Key | XHDVXAKAKZJXQR-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 | asparagine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganofluoridesorganopnictogen compoundspyridazines and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundfatty amiden-arylamideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideasparagine or derivativesimidolactamorganoheterocyclic compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyridazinehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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