HMDB0001411 RDKit 3D Cotinine N-oxide 26 27 0 0 0 0 0 0 0 0999 V2000 -1.3543 1.6882 1.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5396 0.4049 0.4138 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7999 -0.1038 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 0.3802 0.2389 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5689 -1.2937 -0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 -1.1077 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5896 -0.6531 0.1181 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7969 -0.2157 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2098 0.9298 -0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 1.2545 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4569 0.4463 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0492 -0.6735 0.7851 N 0 0 0 0 0 4 0 0 0 0 0 0 3.9815 -1.4559 1.4300 O 0 0 0 0 0 1 0 0 0 0 0 0 1.7458 -0.9934 0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9938 1.7942 1.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2898 1.8449 1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 2.5359 0.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6731 -2.2458 -0.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2041 -1.2781 -1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -0.2622 -1.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6202 -2.0245 -1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7654 -1.4629 0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4649 1.5405 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 2.1561 -0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 0.7133 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4658 -1.9186 1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 7 2 1 0 14 8 1 0 1 15 1 0 1 16 1 0 1 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 1 9 23 1 0 10 24 1 0 11 25 1 0 14 26 1 0 M CHG 2 12 1 13 -1 M END