| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:50 UTC |
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| Update Date | 2025-03-25 00:50:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178169 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8F3N3O3 |
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| Molecular Mass | 251.0518 |
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| SMILES | Cn1cc(C(=O)NCC(=O)O)c(C(F)(F)F)n1 |
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| InChI Key | QQJROFXBYBLDNB-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 heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrazolessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganohalogen compoundpyrazoleorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideorganoheterocyclic compoundazolevinylogous amideazacyclealkyl fluorideorganofluorideheteroaromatic compoundcarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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