input word = C00022071

Metabolite InformationStructural formula
Name Ligantrol
Formula C20H36O5
Mw 356.25627426
CAS RN 53198-13-3
C_ID C00022071 ,
InChIKey RXGMJLUUKIBYON-FUNYDKAYNA-N
InChICode InChI=1S/C20H36O5/c1-15(11-13-21)6-5-7-16(14-22)8-9-17(23)20(4)12-10-18(25-20)19(2,3)24/h7,11,17-18,21-24H,5-6,8-10,12-14H2,1-4H3/b15-11-,16-7-/t17-,18-,20+/m0/s1
SMILES OC/C=C(/C)\CC/C=C(/CC[C@@H]([C@]1(CC[C@H](O1)C(C)(O)C)C)O)\CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris elegans Ref.
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OrganismLiatris elegans
ReferenceHerz,J. Org. Chem.,40,(1975),192