input word = C00022354

Metabolite InformationStructural formula
Name Epijabugotriol
Formula C20H34O4
Mw 338.24570957
CAS RN 96947-64-7
C_ID C00022354 ,
InChIKey PBTFJUXOLJJSAW-BEJGPUFVNA-N
InChICode InChI=1S/C20H34O4/c1-5-20(13-22)10-7-15-18(3)9-6-8-17(2,12-21)16(18)14(23)11-19(15,4)24-20/h5,14-16,21-23H,1,6-13H2,2-4H3/t14-,15+,16-,17-,18+,19+,20+/m1/s1
SMILES C=C[C@@]1(CO)CC[C@H]2[C@]3(C)CCC[C@](C)(CO)[C@H]3[C@H](O)C[C@]2(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis arborescens Ref.
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