input word = C00054316

Metabolite InformationStructural formula
Name Cascarillone
Formula C20H30O2
Mw 302.2245802
CAS RN 59742-40-4
C_ID C00054316
InChIKey SXSAPQYSINCHJK-LQQYDMKDSA-N
InChICode InChI=1S/C20H30O2/c1-14-5-8-20(4)15(2)11-17(21)12-18(20)19(14,3)9-6-16-7-10-22-13-16/h7,10,13-15,18H,5-6,8-9,11-12H2,1-4H3/t14-,15-,18-,19+,20+/m1/s1
SMILES C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C[C@H]2C)[C@@]1(C)CCc1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton eleuteria Ref.
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