input word = C00051137

Metabolite InformationStructural formula
Name Kessyl acetate
alpha-Kessyl acetate
Formula C17H28O3
Mw 280.20384476
CAS RN 3525-77-7
C_ID C00051137
InChIKey SXGDMINSYARVTP-SYSTWKEHNA-N
InChICode InChI=1S/C18H20N6S2/c19-17(25)23-21-11-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)12-22-24-18(20)26/h3-12H,1-2H2,(H3,19,23,25)(H3,20,24,26)
SMILES CC(=O)O[C@@H]1C[C@@H](C)[C@H]2C[C@H]3CC[C@](C)(OC3(C)C)[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis var.latifolia Ref.
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