input word = C00022155

Metabolite InformationStructural formula
Name Pretomentol
Formula C21H36O4
Mw 352.26135964
CAS RN 99877-58-4
C_ID C00022155 ,
InChIKey LECHPDAMCTWYFO-VCHYOVAHNA-N
InChICode InChI=1S/C21H36O4/c1-15(2)17(4)13-19(24)16(3)7-6-11-21(5)20(25-21)9-8-18(14-23)10-12-22/h10,15-16,20,22-23H,4,6-9,11-14H2,1-3,5H3/b18-10+/t16-,20+,21+/m0/s1
SMILES CC(C(=C)CC(=O)[C@H](CCC[C@@]1([C@@H](CC/C(=C\CO)/CO)O1)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMontanoa tomentosa Ref.
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OrganismMontanoa tomentosa
ReferenceQuijano,Phytochem.,24,(1985),2741