input word = C00022348

Metabolite InformationStructural formula
Name Jabugodiol
Formula C20H34O3
Mw 322.25079495
CAS RN 96890-05-0
C_ID C00022348 ,
InChIKey SCVQZSIEFMYHAN-DIQOWNEKNA-N
InChICode InChI=1S/C20H34O3/c1-5-20(14-22)12-8-16-18(3)10-6-9-17(2,13-21)15(18)7-11-19(16,4)23-20/h5,15-16,21-22H,1,6-14H2,2-4H3/t15-,16+,17-,18-,19+,20-/m1/s1
SMILES C1C[C@@]([C@@H]2[C@@](C1)([C@H]1[C@](CC2)(O[C@@](CC1)(C=C)CO)C)C)(CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis arborescens Ref.
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