input word = C00050482

Metabolite InformationStructural formula
Name Methyl hexanoate
Methyl caproate
Formula C7H14O2
Mw 130.09937969
CAS RN 106-70-7
C_ID C00050482
InChIKey NUKZAGXMHTUAFE-UHFFFAOYSA-N
InChICode InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
SMILES CCCCCC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeAnnonaceaeAnnona muricata Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia dulcis Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeNymphaeaceaeNymphaea amazonum Ref.
PlantaeNymphaeaceaeNymphaea garneriana Ref.
PlantaeNymphaeaceaeNymphaea lasiophylla Ref.
PlantaeNymphaeaceaeNymphaea rudgeana Ref.
PlantaeOxalidaceaeAverrhoa carambola Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
--FOOD SAKE Ref.
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OrganismPsidium guajava
ReferenceElizalde-Gonzalez, M. P. et al., Phytochem. Anal., 29, (2018), 649-660.