input word = C00052647

Metabolite InformationStructural formula
Name 2-Methylpyrrole
Formula C5H7N
Mw 81.05784923
CAS RN 636-41-9
C_ID C00052647
InChIKey TVCXVUHHCUYLGX-UHFFFAOYSA-N
InChICode InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3
SMILES Cc1ccc[nH]1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCoffea arabica Ref.
--Caffea sp. Ref.
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OrganismCoffea arabica
Referencede Melo Pereira, G. V. et al., Food Chemistry 272, (2019), 441-452.