input word = C00062344

Metabolite InformationStructural formula
Name Acetoxyacetone
Formula C5H8O3
Mw 116.04734412
CAS RN 592-20-1
C_ID C00062344
InChIKey DBERHVIZRVGDFO-UHFFFAOYSA-N
InChICode InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3
SMILES CC(=O)COC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePicea abies Ref.
--Caffea sp. Ref.
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OrganismPicea abies
Referencehttps://doi.org/10.1007/s00226-009-0282-1