input word = C00050471

Metabolite InformationStructural formula
Name Isobutyl acetate
Formula C6H12O2
Mw 116.08372963
CAS RN 110-19-0
C_ID C00050471
InChIKey GJRQTCIYDGXPES-UHFFFAOYSA-N
InChICode InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
SMILES CC(=O)OCC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
--Caffea sp. Ref.
--FOOD SAKE Ref.
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