input word = C00020916

Metabolite InformationStructural formula
Name 3beta-Acetoxy-1(5),11(13)-guaiadien-12,8alpha-olide
Formula C17H22O4
Mw 290.15180919
CAS RN 125164-70-7
C_ID C00020916 ,
InChIKey FOUBXDSMSLGPPB-PKDKOLBDNA-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/h8-9,14-16H,3,5-7H2,1-2,4H3/t8-,9+,14+,15-,16-/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@H](C)C3=C(C[C@@H]12)[C@H](C)[C@H](OC(C)=O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePechuel-loeschea leubnitziae Ref.
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