input word = C00012070

Metabolite InformationStructural formula
Name Shiromodiol monoacetate
Formula C17H28O4
Mw 296.19875938
CAS RN 20071-59-4
C_ID C00012070 ,
InChIKey FOQXNKIUPIUEKJ-XOGAJLFQNA-N
InChICode InChI=1S/C17H28O4/c1-10(2)14-13(20-12(4)18)9-11(3)7-6-8-17(5)16(21-17)15(14)19/h7,10,13-16,19H,6,8-9H2,1-5H3/b11-7+/t13-,14?,15-,16-,17-/m1/s1
SMILES C1C[C@@]2([C@@H]([C@@H]([C@@H]([C@@H](C/C(=C/1)/C)OC(=O)C)C(C)C)O)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeParabenzoin trilobum Ref.
zoom in



OrganismParabenzoin trilobum
ReferenceWada,Tetrahedron Lett.,9,(1968),4673