input word = C00052712

Metabolite InformationStructural formula
Name 4-Hydroxy-2,5-dimethyl-3(2H)-furanone
Formula C6H8O3
Mw 128.04734412
CAS RN 3658-77-3
C_ID C00052712
InChIKey INAXVXBDKKUCGI-UHFFFAOYSA-N
InChICode InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3
SMILES CC1=C(O)C(C(C)O1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeRubiaceaeCoffea canephora Ref.
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OrganismCoffea arabica
Referencede Melo Pereira, G. V. et al., Food Chemistry 272, (2019), 441-452.