| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:53 UTC |
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| Update Date | 2025-03-25 00:50:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178293 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7F3N2O4 |
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| Molecular Mass | 252.0358 |
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| SMILES | Cn1c(=O)cc(C(F)(F)F)n(CC(=O)O)c1=O |
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| InChI Key | MVZSZUBCUJBEPW-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 | alpha amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrimidonesureasvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpyrimidonealpha-amino acid or derivativesorganohalogen compoundpyrimidineureaorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halideorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacyclealkyl fluorideorganofluorideheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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