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.
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OrganismAcca sellowiana
ReferencePeng, Y. et al., Molecules, 24, (2019), 2053.