input word = C00048534

Metabolite InformationStructural formula
Name Sicanadiol
Formula C20H32O2
Mw 304.24023027
CAS RN 138501-71-0
C_ID C00048534 ,
InChIKey CUBXXNGZGPRSKK-XWFLIFJONA-N
InChICode InChI=1S/C20H32O2/c1-17(2)8-5-9-18(3)14-7-6-13-11-20(14,12-19(13,4)22)16(21)10-15(17)18/h6-7,13-16,21-22H,5,8-12H2,1-4H3/t13-,14+,15-,16+,18+,19-,20-/m1/s1
SMILES C1=C[C@@H]2C[C@]3([C@@H]1[C@]1([C@H](C[C@@H]3O)C(CCC1)(C)C)C)C[C@@]2(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis lotsyi var. mascaensis Ref.
zoom in