CDK 0828181700 26 29 0 0 0 0 0 0 0 0999 V2000 2.4328 -1.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2251 1.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6091 -1.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4665 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5058 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 1.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8117 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 0.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 1.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7724 1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0487 1.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5144 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4145 -0.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2381 -0.9670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6908 -0.2772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0392 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2434 1.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 -0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9671 0.3654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7907 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3068 -0.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5961 1.1022 0.0000 N 0 0 2 0 0 0 0 0 0 0 0 0 0.0435 -0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7854 -1.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0618 -1.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4197 1.0551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 5 4 2 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 14 3 1 0 0 0 0 14 13 1 0 0 0 0 15 8 1 0 0 0 0 15 12 1 0 0 0 0 14 15 1 0 0 0 0 16 6 2 0 0 0 0 17 9 1 0 0 0 0 17 16 1 0 0 0 0 18 7 2 0 0 0 0 18 16 1 0 0 0 0 19 12 1 0 0 0 0 20 17 2 0 0 0 0 19 20 1 0 0 0 0 21 18 1 0 0 0 0 21 20 1 0 0 0 0 22 2 1 6 0 0 0 22 10 1 0 0 0 0 22 11 1 0 0 0 0 19 22 1 0 0 0 0 23 13 1 0 0 0 0 14 24 1 6 0 0 0 15 25 1 6 0 0 0 19 26 1 1 0 0 0 M CHG 1 22 1 M END > CHEBI:141925 > N4-methylantirhine > 2 > C20H27N2O > 311.442 > 311.21179 > 1 > C=C[C@@](CO)([C@]1(CC[N@@+]2(C)CCC=3C4=CC=CC=C4NC3[C@@]2(C1)[H])[H])[H] > InChI=1S/C20H27N2O/c1-3-14(13-23)15-8-10-22(2)11-9-17-16-6-4-5-7-18(16)21-20(17)19(22)12-15/h3-7,14-15,19,21,23H,1,8-13H2,2H3/q+1/t14-,15-,19-,22-/m0/s1 > MZLZYEQWGKCFKZ-STAGFUQPSA-N $$$$