Mol:Scopolamine hydrobromide
From Metabolomics.JP
ACD/Labs12010717172D 23 25 0 0 1 0 0 0 0 0 1 V2000 29.6255 -8.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5660 -7.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6255 -9.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5660 -10.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8959 -7.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8959 -10.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8364 -8.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8364 -9.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3218 -8.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1699 -7.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0181 -8.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4736 -7.3872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8663 -7.3872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1699 -6.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3218 -9.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5660 -8.3516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.5114 -8.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3218 -4.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3218 -5.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1699 -3.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0181 -4.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0181 -5.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0261 -14.5980 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 5 2 1 0 0 0 0 4 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 6 8 1 1 0 0 0 7 8 1 1 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 1 12 1 6 0 0 0 9 12 1 0 0 0 0 11 13 1 0 0 0 0 10 14 1 6 0 0 0 9 15 2 0 0 0 0 7 6 1 0 0 0 0 4 16 1 1 0 0 0 5 16 1 1 0 0 0 16 17 1 0 0 0 0 19 18 1 0 0 0 0 20 18 2 0 0 0 0 14 19 2 0 0 0 0 21 20 1 0 0 0 0 22 14 1 0 0 0 0 22 21 2 0 0 0 0 S SKP 5 ID Scopolamine hydrobromide FORMULA C17H22BrNO4 EXACTMASS 383.0732207969999 AVERAGEMASS 384.26491999999996 SMILES Br M END
