input word = C00035610

Metabolite InformationStructural formula
Name Epoxyisolinearol
Formula C22H34O5
Mw 378.2406242
CAS RN 56776-88-6
C_ID C00035610 ,
InChIKey GUVFBAWLWKLHCF-JJAMUKPGNA-N
InChICode InChI=1S/C22H34O5/c1-12(23)26-11-20(3)15-9-17(25)22-10-13(21(4)18(22)27-21)5-6-14(22)19(15,2)8-7-16(20)24/h13-18,24-25H,5-11H2,1-4H3/t13-,14+,15+,16-,17+,18+,19+,20-,21+,22-/m1/s1
SMILES CC(=O)OC[C@]1(C)[C@H]2C[C@H](O)[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC[C@H]1O)[C@]1(C)O[C@@H]14
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis ozturkii Aytac & Aksoy Ref.
PlantaeLabiataeSideritis theezans Ref.
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