input word = C00022678

Metabolite InformationStructural formula
Name 14-Acetoxy-5alpha-hydroperoxy-11alpha,13-dihydroisoalantolactone
Formula C17H24O6
Mw 324.1572885
CAS RN 112823-70-8
C_ID C00022678 ,
InChIKey NBDSLJJVKIEFJQ-AGBHWUCLNA-N
InChICode InChI=1S/C17H24O6/c1-10-5-4-6-16(9-21-12(3)18)8-14-13(7-17(10,16)23-20)11(2)15(19)22-14/h11,13-14,20H,1,4-9H2,2-3H3/t11-,13+,14+,16+,17+/m0/s1
SMILES C=C1CCC[C@]2(COC(C)=O)C[C@H]3OC(=O)[C@@H](C)[C@H]3C[C@@]12OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEriocephalus africanus Ref.
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