input word = C00035612

Metabolite InformationStructural formula
Name Ethyl hexanoate
Ethyl caproate
Formula C8H16O2
Mw 144.11502975
CAS RN 123-66-0
C_ID C00035612 ,
InChIKey SHZIWNPUGXLXDT-UHFFFAOYSA-N
InChICode InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
SMILES CCOC(=O)CCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeAnnonaceaeAnnona muricata Ref.
PlantaeApiaceaeApium graveolens Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeMalvaceaeDurio zibethinus Ref.
PlantaeMyrtaceaeAcca sellowiana Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeOxalidaceaeAverrhoa carambola Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
--FOOD SAKE Ref.
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OrganismPrunus avium
ReferenceCozzolino, R. et al., Food Chem., 286, (2019), 659-668.