input word = C00060410

Metabolite InformationStructural formula
Name Kessanyl acetate
Formula C17H28O3
Mw 280.20384476
CAS RN 17806-59-6
C_ID C00060410
InChIKey CGBOQYJQRLRGIE-QFCZPAJMSA-N
InChICode InChI=1S/C17H28O3/c1-10-6-7-13-12(10)8-14-15(19-11(2)18)9-17(13,5)20-16(14,3)4/h10,12-15H,6-9H2,1-5H3
SMILES CC(=O)OC1CC2(C)OC(C)(C)C1CC1C(C)CCC12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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