input word = C00058919

Metabolite InformationStructural formula
Name cis-Valerenyl acetate
Formula C17H26O2
Mw 262.19328007
CAS RN 101527-78-0
C_ID C00058919
InChIKey GMTBKCJRMNJNFL-RTKBHWQPSA-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.
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