input word = C00059145

Metabolite InformationStructural formula
Name Granisetron
Formula C18H24N4O
Mw 312.19501142
CAS RN 109889-09-0
C_ID C00059145
InChIKey MFWNKCLOYSRHCJ-AGUYFDCRSA-N
InChICode InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+;InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+/i2D3
SMILES CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOxalidaceaeOxalis corniculata Ref.
zoom in