input word = C00059696

Metabolite InformationStructural formula
Name Kessyl 3-acetate
Formula C17H28O3
Mw 280.20384476
CAS RN 1346657-09-7
C_ID C00059696
InChIKey ODJYOWOONQGNHL-VGAYVZKLSA-N
InChICode InChI=1S/C17H28O3/c1-10-13-8-12-6-7-17(5,20-16(12,3)4)14(13)9-15(10)19-11(2)18/h10,12-15H,6-9H2,1-5H3/t10-,12+,13+,14+,15-,17-/m0/s1
SMILES CC(=O)OC1CC2C(CC3CCC2(C)OC3(C)C)C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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OrganismValeriana officinalis
Referencehttps://doi.org/10.1002/cbdv.201000247