input word = C00055582

Metabolite InformationStructural formula
Name (E)-Sesquilavandulyl acetate
Formula C17H28O2
Mw 264.20893014
CAS RN 269409-66-7
C_ID C00055582
InChIKey WKGRFMQERVPGIC-OBHPCNEJSA-N
InChICode InChI=1S/C17H28O2/c1-13(2)8-7-9-15(5)10-11-17(14(3)4)12-19-16(6)18/h8,10,17H,3,7,9,11-12H2,1-2,4-6H3/b15-10+/t17-/m0/s1
SMILES C/C(CC/C=C(C)/C)=CC[C@H](C(C)=C)COC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDittrichia graveolens Ref.
PlantaeAsteraceaeTanacetum macrophyllum Ref.
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OrganismTanacetum macrophyllum
ReferencePolatoglu, K. et al., J. Oleo Sci., 64, (2015), 881-893.