input word = C00061668

Metabolite InformationStructural formula
Name 2,3-Hexanedione
Formula C6H10O2
Mw 114.06807956
CAS RN 3848-24-6
C_ID C00061668
InChIKey MWVFCEVNXHTDNF-UHFFFAOYSA-N
InChICode InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3
SMILES CCCC(=O)C(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeMyrtus communis Ref.
--Caffea sp. Ref.
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OrganismCaffea sp.
Referencehttps://doi.org/10.1016/j.foodchem.2018.08.068