input word = C00058918

Metabolite InformationStructural formula
Name trans-Valerenyl acetate
Formula C17H26O2
Mw 262.19328007
CAS RN 101527-74-6
C_ID C00058918
InChIKey GMTBKCJRMNJNFL-MYNFKVGTSA-N
InChICode InChI=1S/C17H26O2/c1-11(10-19-14(4)18)9-15-7-5-12(2)16-8-6-13(3)17(15)16/h9,12,15-16H,5-8,10H2,1-4H3/b11-9+/t12-,15+,16-/m1/s1
SMILES CC(=O)OCC(C)=CC1CCC(C)C2CCC(C)=C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
zoom in