input word = C00059029

Metabolite InformationStructural formula
Name Methyl acetoacetate
Formula C5H8O3
Mw 116.04734412
CAS RN 105-45-3
C_ID C00059029
InChIKey WRQNANDWMGAFTP-UHFFFAOYSA-N
InChICode InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
SMILES COC(=O)CC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeCapsella bursa-pastoris Ref.
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