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 CCCCCCCC(=O)OCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeAnnonaceaeAnnona glabra Ref.
PlantaeApiaceaeApium graveolens Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia dulcis Ref.
PlantaeEphedraceaeEphedra sinica Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeMalvaceaeDurio zibethinus Ref.
PlantaeMyrtaceaeAcca sellowiana Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
--Caffea sp. Ref.
--FOOD SAKE Ref.
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OrganismEphedra sinica
ReferenceBen-Mei, Z. et al., Chinese J. Nat. Med., 16, (2018), 811-828.