input word = C00022159

Metabolite InformationStructural formula
Name Tomentol
Formula C21H36O4
Mw 352.26135964
CAS RN 89116-69-8
C_ID C00022159 ,
InChIKey GFGVUFXKCXIGEE-YHGHHWQNNA-N
InChICode InChI=1S/C21H36O4/c1-15(2)17(4)13-19(23)16(3)7-6-11-21(5)20(24)9-8-18(10-12-22)14-25-21/h10,15-16,20,22,24H,4,6-9,11-14H2,1-3,5H3/b18-10+/t16-,20-,21+/m1/s1
SMILES C=C(CC(=O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMontanoa tomentosa Ref.
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