(2s,3s,4s,5r)-6-[3-(5-chloro-2-methoxyphenyl)-3-fluoro-2-oxo-6-(trifluoromethyl)indol-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[3-(5-chloro-2-methoxyphenyl)-3-fluoro-2-oxo-6-(trifluoromethyl)indol-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: LHGCJCWQABXCEH-DFPMCGAKSA-N
- InChI: InChI=1S/C22H18ClF4NO8/c1-35-13-5-3-9(23)7-11(13)21(24)10-4-2-8(22(25,26)27)6-12(10)28(20(21)34)18-16(31)14(29)15(30)17(36-18)19(32)33/h2-7,14-18,29-31H,1H3,(H,32,33)/t14-,15-,16+,17-,18?,21?/m0/s1
- SMILES: COC1=C(C=C(C=C1)Cl)C2(C3=C(C=C(C=C3)C(F)(F)F)N(C2=O)C4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)F
- Exact Mass: 535.06571
- Molecular Formula: C22H18ClF4NO8
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Compound CID:
154699763
154699763
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.