input word = C00020917

Metabolite InformationStructural formula
Name 3beta-Acetoxy-5,11(13)-guaiadien-12,8alpha-olide
Formula C17H22O4
Mw 290.15180919
CAS RN 125164-71-8
C_ID C00020917 ,
InChIKey CEAMYRLNQUHXPU-JBFIKWLBNA-N
InChICode InChI=1S/C17H22O4/c1-8-5-16-14(10(3)17(19)21-16)6-13-9(2)15(7-12(8)13)20-11(4)18/h6,8-9,12,14-16H,3,5,7H2,1-2,4H3/t8-,9+,12-,14+,15-,16-/m0/s1
SMILES [C@@H]12C(=C[C@H]3[C@H](C[C@@H]1C)OC(=O)C3=C)[C@H]([C@H](C2)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePechuel-loeschea leubnitziae Ref.
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