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.
PlantaeApiaceaeApium graveolens Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeLabiataeOrthosiphon stamineus Ref.
--FOOD SAKE Ref.
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