input word = C00052588

Metabolite InformationStructural formula
Name 2,3-Dimethylpyrazine
Formula C6H8N2
Mw 108.06874827
CAS RN 5910-89-4
C_ID C00052588
InChIKey OXQOBQJCDNLAPO-UHFFFAOYSA-N
InChICode InChI=1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3
SMILES CC1=NC=CN=C1C
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.