input word = C00035702

Metabolite InformationStructural formula
Name Hexyl butanoate
Hexyl butyrate
n-Hexyl butyrate
Formula C10H20O2
Mw 172.14632988
CAS RN 2639-63-6
C_ID C00035702 ,
InChIKey XAPCMTMQBXLDBB-UHFFFAOYSA-N
InChICode InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
SMILES CCCCCCOC(=O)CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLavandula angustifolia Ref.
PlantaeMyrtaceaeAcca sellowiana Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
zoom in



OrganismLavandula angustifolia
ReferenceBialon, M. et al., Molecules, 24, (2019), 3270.