input word = C00008235

Metabolite InformationStructural formula
Name Selinone
Formula C20H20O5
Mw 340.13107375
CAS RN 14117-54-5
C_ID C00008235 ,
InChIKey GYSDUVRPSWKYDJ-UHFFFAOYNA-N
InChICode InChI=1S/C20H20O5/c1-12(2)7-8-24-15-5-3-13(4-6-15)18-11-17(23)20-16(22)9-14(21)10-19(20)25-18/h3-7,9-10,18,21-22H,8,11H2,1-2H3/t18-/m0/s1
SMILES CC(C)=CCOc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica archangelica Ref.
PlantaeApiaceaeSelinum vaginatum Ref.
zoom in