input word = C00007458

Metabolite InformationStructural formula
Name Acetoacetic acid
Formula C4H6O3
Mw 102.03169406
CAS RN 541-50-4
C_ID C00007458 ,
InChIKey WDJHALXBUFZDSR-UHFFFAOYSA-N
InChICode InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
SMILES CC(=O)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Serum) Ref.
AnimaliaHominidaeHomo sapiens (Urine) Ref.
BacteriaPseudomonadaceaePseudomonas putida Ref.
--FOOD SAKE Ref.
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OrganismFOOD SAKE
ReferenceIwashita,National Research Institute of Brewing (unpublished)