HMDB0062404 RDKit 3D 4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone 29 29 0 0 0 0 0 0 0 0999 V2000 -2.6783 2.1634 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 0.7946 -0.2663 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3792 0.4508 -0.8431 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1273 -0.4023 -0.2872 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3722 -0.2330 0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0454 -1.4356 0.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0378 -0.2900 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1247 -1.3511 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1277 -1.3355 -0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1941 -1.9233 -1.6282 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 -0.6471 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 0.0307 1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5063 0.6806 1.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6241 0.6239 0.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6239 -0.0281 -0.3579 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 -0.6500 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4109 2.7746 -0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 2.5549 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 2.2650 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2176 0.0457 1.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9775 -1.9053 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -0.5235 -1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5598 0.7015 -0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -1.2312 1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6312 -2.3308 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4746 0.0654 1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5398 1.2134 2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 1.1080 1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4756 -1.1854 -1.7252 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 2 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 1 17 1 0 1 18 1 0 1 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 16 29 1 0 M END