input word = C00019558

Metabolite InformationStructural formula
Name Acetol
Hydroxypropanone
1-Hydroxy-2-propanone
Formula C3H6O2
Mw 74.03677944
CAS RN 116-09-6
C_ID C00019558 ,
InChIKey XLSMFKSTNGKWQX-UHFFFAOYSA-N
InChICode InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
SMILES CC(=O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
PlantaeRubiaceaeCoffea arabica Ref.
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OrganismCoffea arabica
Referencede Melo Pereira, G. V. et al., Food Chemistry 272, (2019), 441-452.