Mid0010: Pibocin B


Name
Pibocin B
IUPAC Name
(6aR,9R,10aR)-5-bromo-4-methoxy-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Molecular Formula
C17H21BrN2O
Molecular Weight
349.3
Exact Mass
348.08373
SMILES
CC1CC2C(CC3=C(N(C4=CC=CC2=C34)OC)Br)N(C1)C
InChIKey
ZCNGIHGSYMIIIR-IXPVHAAZSA-N
InChI
InChI=1S/C17H21BrN2O/c1-10-7-12-11-5-4-6-14-16(11)13(17(18)20(14)21-3)8-15(12)19(2)9-10/h4-6,10,12,15H,7-9H2,1-3H3/t10-,12-,15-/m1/s1
Other Databases Link
knapsack_C00046307
Structure
Classification
Alkaloids
Crops containing this metabolite
maize
Related MS2T Accessions