input word = C00009559

Metabolite InformationStructural formula
Name Isosophoronol
Formula C21H20O6
Mw 368.12598837
CAS RN 64280-19-9
C_ID C00009559 ,
InChIKey OZWAYRPZCFAHRV-UHFFFAOYNA-N
InChICode InChI=1S/C21H20O6/c1-21(2)7-6-13-16(27-21)5-4-12(20(13)25-3)14-10-26-17-9-11(22)8-15(23)18(17)19(14)24/h4-9,14,22-23H,10H2,1-3H3/t14-/m0/s1
SMILES COc1c(C2COc3cc(O)cc(O)c3C2=O)ccc2c1C=CC(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora tomentosa Ref.
zoom in