input word = C00057964

Metabolite InformationStructural formula
Name Valeracetate
Formula C17H28O3
Mw 280.20384476
CAS RN 173693-49-7
C_ID C00057964
InChIKey DWBIYQVLFODAMM-UHFFFAOYSA-N
InChICode InChI=1S/C17H28O3/c1-11-5-6-15-14(11)9-13-7-8-16(15,3)20-17(13,4)10-19-12(2)18/h11,13-15H,5-10H2,1-4H3
SMILES CC(=O)OCC1(C)OC2(C)CCC1CC1C(C)CCC12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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