input word = C00055912

Metabolite InformationStructural formula
Name Hexyl valerate
n-Hexyl valerate
Formula C11H22O2
Mw 186.16197995
CAS RN 1117-59-5
C_ID C00055912
InChIKey YERFHJZYNMRVLO-UHFFFAOYSA-N
InChICode InChI=1S/C15H17IN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2
SMILES CCCCCCOC(=O)CCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea atropurpurea Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
zoom in



OrganismCentaurea atropurpurea
ReferenceNovakovic, J. et al., Chem. Biodiv., 13, (2016), 1221-1229.