input word = C00052574

Metabolite InformationStructural formula
Name 1-Hydroxy-2-butanone
Formula C4H8O2
Mw 88.0524295
CAS RN 5077-67-8
C_ID C00052574
InChIKey GFAZHVHNLUBROE-UHFFFAOYSA-N
InChICode InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3
SMILES CCC(=O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCoffea arabica Ref.
--Caffea sp. Ref.
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OrganismCaffea sp.
Referencehttps://doi.org/10.1016/j.foodchem.2018.08.068