Main compound image
9'-desmethylgranisetron
  • Other Name: 1-Desmethyl granisetron
  • InChIKey: GHVQAOGYNZNTIA-YHWZYXNKSA-N
  • InChI: InChI=1S/C17H22N4O/c1-21-12-5-4-6-13(21)10-11(9-12)18-17(22)16-14-7-2-3-8-15(14)19-20-16/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,22)(H,19,20)/t11?,12-,13+
  • SMILES: CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)C3=NNC4=CC=CC=C43
  • Exact Mass: 298.17936
  • Molecular Formula: C17H22N4O
  • Compound CID: pubchemlite11243474 pubchem11243474
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.

Neighbours
All in View
Loading...