input word = C00022454

Metabolite InformationStructural formula
Name 6beta-Hydroxyisochiliolide lactone
Formula C20H24O6
Mw 360.1572885
CAS RN 132536-50-6
C_ID C00022454 ,
InChIKey UAPYBFIBSYIWBS-BGZPMVMFNA-N
InChICode InChI=1S/C20H24O6/c1-11-8-14(21)18(3)17(2)5-6-20(18,26-15(17)22)19(11)9-13(25-16(19)23)12-4-7-24-10-12/h4,7,10-11,13-14,21H,5-6,8-9H2,1-3H3/t11-,13+,14+,17-,18+,19-,20-/m0/s1
SMILES CC1C[C@@H](O)[C@@]2(C)[C@@]3(CC[C@@]2(C)C(=O)O3)[C@@]12C[C@H](c1ccoc1)OC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeConyza pyrifolia Ref.
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