input word = C00022379

Metabolite InformationStructural formula
Name Jhanol acetate
Formula C22H36O3
Mw 348.26644502
CAS RN 62959-89-1
C_ID C00022379 ,
InChIKey LSRSKJHMVBWLFI-OTXOSEAQNA-N
InChICode InChI=1S/C22H36O3/c1-7-20(4)13-9-18-21(5)12-8-11-19(3,15-24-16(2)23)17(21)10-14-22(18,6)25-20/h7,17-18H,1,8-15H2,2-6H3/t17-,18+,19-,20-,21-,22+/m0/s1
SMILES C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(COC(C)=O)[C@@H]3CC[C@@]2(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium jhanii Ref.
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