input word = C00020620

Metabolite InformationStructural formula
Name 8alpha-Acetoxy-1beta,10beta-epoxy-3,11(13)-guaiadien-12,6alpha-olide
Formula C17H20O5
Mw 304.13107375
CAS RN 126829-70-7
C_ID C00020620 ,
InChIKey CWDIWDKHXGYAMS-VAKKJYRLNA-N
InChICode InChI=1S/C17H20O5/c1-8-5-6-17-13(8)14-12(9(2)15(19)21-14)11(20-10(3)18)7-16(17,4)22-17/h5,11-14H,2,6-7H2,1,3-4H3/t11-,12+,13+,14-,16-,17+/m0/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@]1(C)O[C@@]13CC=C(C)[C@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePentzia eenii Ref.
zoom in