Main compound image
NA
  • InChIKey: RZBIFDHWSNHWOH-UYRXBGFRSA-N
  • InChI: InChI=1S/C15H18F3NO4/c1-22-9-3-2-4-13(19-23-10-14(20)21)11-5-7-12(8-6-11)15(16,17)18/h5-8H,2-4,9-10H2,1H3,(H,20,21)/b19-13-
  • SMILES: COCCCC/C(=N/OCC(=O)O)/C1=CC=C(C=C1)C(F)(F)F
  • Exact Mass: 333.11879
  • Molecular Formula: C15H18F3NO4
  • Compound CID: pubchemlite92034990 pubchem92034990
Hidden Reactions Filter Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products. These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph. To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.

You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
  • Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
  • Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
  • Carbon dioxide → Formylmethanofuran
  • Acrolein → Chembl3706542
  • Ethylene oxide → Acetyl-coa
  • Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.

Click on a node or edge to see details here.

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