Main compound image
2-((s)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-(trifluoromethyl)phenyl)ethanol
  • Other Name: 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
  • InChIKey: CJZHQFCDBGCSGH-BHWOMJMDSA-N
  • InChI: InChI=1S/C20H22F3NO3/c1-26-18-9-13-7-8-24-16(15(13)10-19(18)27-2)11-17(25)12-3-5-14(6-4-12)20(21,22)23/h3-6,9-10,16-17,24-25H,7-8,11H2,1-2H3/t16-,17?/m0/s1
  • SMILES: COC1=C(C=C2[C@@H](NCCC2=C1)CC(C3=CC=C(C=C3)C(F)(F)F)O)OC
  • Exact Mass: 381.15518
  • Molecular Formula: C20H22F3NO3
  • Compound CID: pubchemlite118753412 pubchem118753412
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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