input word = C00052141

Metabolite InformationStructural formula
Name 3-Hexanone
Formula C6H12O
Mw 100.08881501
CAS RN 589-38-8
C_ID C00052141
InChIKey PFCHFHIRKBAQGU-UHFFFAOYSA-N
InChICode InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
SMILES CCCC(=O)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
--Caffea sp. Ref.
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OrganismCaffea sp.
Referencehttps://doi.org/10.1016/j.foodchem.2018.08.068