input word = C00011029

Metabolite InformationStructural formula
Name (+)-Cedronellone
Formula C20H28O2
Mw 300.20893014
CAS RN 113473-19-1
C_ID C00011029 ,
InChIKey YZHBEINUZQDPPT-UHFFFAOYNA-N
InChICode InChI=1S/C20H28O2/c1-18(2)11-7-14(18)13-5-6-20(22-15(13)8-11)16-9-12(10-17(20)21)19(16,3)4/h11-12,14,16H,5-10H2,1-4H3/t11-,12-,14+,16-,20+/m0/s1
SMILES [C@@H]12C3=C(C[C@@H](C1(C)C)C2)O[C@]1(CC3)[C@@H]2C([C@H](CC1=O)C2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeCedronella canariensis Ref.
zoom in