input word = C00052646

Metabolite InformationStructural formula
Name 2-Methylpyrazine
Formula C5H6N2
Mw 94.05309821
CAS RN 109-08-0
C_ID C00052646
InChIKey CAWHJQAVHZEVTJ-UHFFFAOYSA-N
InChICode InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3
SMILES CC1=CN=CC=N1
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.