input word = C00055618

Metabolite InformationStructural formula
Name 2-Heptyl butanoate
Formula C11H22O2
Mw 186.16197995
CAS RN 39026-94-3
C_ID C00055618
InChIKey GTKUPJHQSAPWLL-UHFFFAOYSA-N
InChICode InChI=1S/C11H22O2/c1-4-6-7-9-10(3)13-11(12)8-5-2/h10H,4-9H2,1-3H3
SMILES CCCCCC(C)OC(=O)CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeAcca sellowiana Ref.
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OrganismAcca sellowiana
ReferencePeng, Y. et al., Molecules, 24, (2019), 2053.