(2s,3s,4s,5r)-6-[3-chloro-5-fluoro-4-(5-methyl-2-oxo-3h-indol-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[3-chloro-5-fluoro-4-(5-methyl-2-oxo-3H-indol-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: SETAFJOLASRPRK-DAZJWRSOSA-N
- InChI: InChI=1S/C21H19ClFNO8/c1-8-2-3-13-9(4-8)5-14(25)24(13)15-11(22)6-10(7-12(15)23)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h2-4,6-7,16-19,21,26-28H,5H2,1H3,(H,29,30)/t16-,17-,18+,19-,21?/m0/s1
- SMILES: CC1=CC2=C(C=C1)N(C(=O)C2)C3=C(C=C(C=C3Cl)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)F
- Exact Mass: 467.07832
- Molecular Formula: C21H19ClFNO8
-
Compound CID:
154699948
154699948
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.