HMDB0011603 RDKit 3D 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone 28 28 0 0 0 0 0 0 0 0999 V2000 4.3895 -0.4625 -1.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1558 -0.4931 -0.3273 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 0.6133 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 0.4870 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0949 -0.6300 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0579 -0.5824 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9285 -1.0285 2.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3269 -0.0398 0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5435 0.4867 -0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8081 0.9903 -0.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8407 0.9715 -0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5969 0.4540 1.1175 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4226 -0.0313 1.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8946 -1.5910 0.4926 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2264 -2.7376 0.0596 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7643 -1.4772 -1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 0.0581 -2.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1437 0.1424 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0131 0.8996 -1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8353 1.5162 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3169 0.3409 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4609 1.4677 0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1911 -0.5820 -1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6425 -1.6020 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 0.5264 -1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9205 1.3899 -1.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 1.3719 -0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2104 -0.4586 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 2 14 1 0 14 15 2 0 13 8 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 13 28 1 0 M END