input word = C00035613

Metabolite InformationStructural formula
Name Ethyl octanoate
Ethyl caprylate
Formula C10H20O2
Mw 172.14632988
CAS RN 106-32-1
C_ID C00035613 ,
InChIKey YYZUSRORWSJGET-UHFFFAOYSA-N
InChICode InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
SMILES CCOC(=O)CCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEphedraceaeEphedra sinica Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeMyrtaceaeAcca sellowiana Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
--FOOD SAKE Ref.
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OrganismPrunus avium
ReferenceCozzolino, R. et al., Food Chem., 286, (2019), 659-668.