input word = C00020363

Metabolite InformationStructural formula
Name Liguloxidol acetate
Formula C17H28O3
Mw 280.20384476
CAS RN 18680-79-0
C_ID C00020363 ,
InChIKey KKRIHDXNMYBHAJ-WBUXWSKQNA-N
InChICode InChI=1S/C17H28O3/c1-10-6-7-14-11(2)15(19-12(3)18)8-13-9-17(10,14)20-16(13,4)5/h10-11,13-15H,6-9H2,1-5H3/t10-,11-,13-,14-,15+,17-/m1/s1
SMILES [C@@H]12[C@@]3([C@@H](CC1)C)OC([C@H](C[C@@H]([C@@H]2C)OC(=O)C)C3)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia fischeri Ref.
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OrganismLigularia fischeri
ReferenceIshii,Tetrahedron,26,(1970),2911