input word = C00059129

Metabolite InformationStructural formula
Name n-Octyl isobutyrate
Formula C12H24O2
Mw 200.17763001
CAS RN 109-15-9
C_ID C00059129
InChIKey PQCYCHFQWMNQRJ-UHFFFAOYSA-N
InChICode InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3
SMILES CCCCCCCCOC(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
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OrganismHumulus lupulus
Referencehttps://doi.org/10.1016/j.foodchem.2018.09.082