m3 ae0941989
- Other Name: 6-(Methylsulfonyl)-5-((2,2,2-trifluoroethoxy)methyl)-3,4-dihydro-1H-xanthene-1,9(2H)-dione
- InChIKey: NQZHWASVWWOLCP-UHFFFAOYSA-N
- InChI: InChI=1S/C17H15F3O6S/c1-27(23,24)13-6-5-9-15(22)14-11(21)3-2-4-12(14)26-16(9)10(13)7-25-8-17(18,19)20/h5-6H,2-4,7-8H2,1H3
- SMILES: CS(=O)(=O)C1=C(C2=C(C=C1)C(=O)C3=C(O2)CCCC3=O)COCC(F)(F)F
- Exact Mass: 404.05414
- Molecular Formula: C17H15F3O6S
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Compound CID:
139596289
139596289
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.
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.