input word = C00022291

Metabolite InformationStructural formula
Name 16-Acetoxy-8,12-epoxy-14-oxo-12-labden-15-al
Formula C22H32O5
Mw 376.22497413
CAS RN 74513-43-2
C_ID C00022291 ,
InChIKey PGGAJUQLLRAJMB-ZMJMXYLYNA-N
InChICode InChI=1S/C22H32O5/c1-14(24)26-13-15(16(25)12-23)17-11-19-21(4)9-6-8-20(2,3)18(21)7-10-22(19,5)27-17/h12,18-19H,6-11,13H2,1-5H3/b17-15+/t18-,19+,21-,22+/m1/s1
SMILES CC(=O)OC/C(C(=O)C=O)=C1/C[C@H]2[C@]3(C)CCCC(C)(C)[C@H]3CC[C@]2(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilphium perfoliatum Ref.
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