input word = C00052743

Metabolite InformationStructural formula
Name 5-Methylfurfural
Formula C6H6O2
Mw 110.03677944
CAS RN 620-02-0
C_ID C00052743
InChIKey OUDFNZMQXZILJD-UHFFFAOYSA-N
InChICode InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
SMILES CC1=CC=C(C=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeRubiaceaeCoffea canephora Ref.
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OrganismCoffea canephora
Referencede Melo Pereira, G. V. et al., Food Chemistry 272, (2019), 441-452.