(2s,3s,4s,5r)-6-[1-[2-[(4s)-6-chloro-8-hydroxy-2-oxo-4-(trifluoromethyl)-1h-3,1-benzoxazin-4-yl]ethynyl]cyclopropyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[1-[2-[(4S)-6-chloro-8-hydroxy-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]ethynyl]cyclopropyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: SUVBXWXDHXJMOP-XNSSWWKFSA-N
- InChI: InChI=1S/C20H17ClF3NO10/c21-7-5-8-10(9(26)6-7)25-17(32)35-19(8,20(22,23)24)4-3-18(1-2-18)34-16-13(29)11(27)12(28)14(33-16)15(30)31/h5-6,11-14,16,26-29H,1-2H2,(H,25,32)(H,30,31)/t11-,12-,13+,14-,16?,19-/m0/s1
- SMILES: C1CC1(C#C[C@]2(C3=C(C(=CC(=C3)Cl)O)NC(=O)O2)C(F)(F)F)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
- Exact Mass: 523.04931
- Molecular Formula: C20H17ClF3NO10
-
Compound CID:
154699973
154699973
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.