input word = C00056181

Metabolite InformationStructural formula
Name (E)-2-Hexenyl hexanoate
Formula C12H22O2
Mw 198.16197995
CAS RN 53398-86-0
C_ID C00056181
InChIKey UQPLEMTXCSYMEK-VQHVLOKHSA-N
InChICode InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+
SMILES CCC/C=C/COC(=O)CCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus avium Ref.
PlantaeTheaceaeCamellia sinensis Ref.
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OrganismPrunus avium
ReferenceCozzolino, R. et al., Food Chem., 286, (2019), 659-668.