| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:24 UTC |
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| Update Date | 2025-03-25 00:56:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220788 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12F3NO4 |
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| Molecular Mass | 255.0718 |
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| SMILES | O=C(O)CN=C(O)CCCCC(=O)C(F)(F)F |
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| InChI Key | RXLCHUYBUQHRNW-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 |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha-haloketonescarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidalkyl fluorideorganofluorideorganic 1,3-dipolar compoundorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-haloketonealkyl halidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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