Mol:Atropine
From Metabolomics.JP
ACD/Labs01040811432D 21 23 0 0 1 0 0 0 0 0 1 V2000 18.5399 -8.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2278 -8.0201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6116 -8.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5399 -9.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9489 -10.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9489 -9.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2770 -8.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3346 -9.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1939 -7.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3148 -10.4338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4544 -11.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4302 -12.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6180 -10.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6422 -9.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8058 -8.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7576 -11.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9213 -10.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7335 -12.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0609 -11.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8730 -13.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0367 -12.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 5 6 1 0 0 0 0 4 5 1 0 0 0 0 3 8 1 0 0 0 0 2 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 17 16 1 0 0 0 0 18 16 2 0 0 0 0 19 17 2 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 21 20 2 0 0 0 0 13 16 1 0 0 0 0 8 7 1 1 0 0 0 6 7 1 1 0 0 0 2 6 1 1 0 0 0 S SKP 5 ID Atropine FORMULA C17H23NO3 EXACTMASS 289.167793607 AVERAGEMASS 289.36946 SMILES OCC(C(=O)OC(C2)CC(C3)N(C)C(C3)2)c(c1)cccc1 M END
