HMDB0060817 RDKit 3D Diethylcarbamazine N-oxide 36 36 0 0 0 0 0 0 0 0999 V2000 -3.8188 1.2664 0.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1138 1.4243 -0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 0.5108 -0.4617 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2176 -0.8001 -0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6865 -1.7407 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7474 0.9995 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 2.2578 0.4271 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5343 0.4374 0.1506 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6371 1.2320 0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 0.9820 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2831 -0.3838 -0.0980 N 0 0 0 0 0 4 0 0 0 0 0 0 3.9121 -0.6714 -1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2642 -0.4137 0.8281 O 0 0 0 0 0 1 0 0 0 0 0 0 2.2508 -1.3269 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8704 -0.8762 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0179 1.0248 1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2589 2.2656 1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5795 0.4781 0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7713 2.4694 -0.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 1.1218 -1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4288 -1.2137 -1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1261 -0.7875 -1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2363 -1.3692 1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7856 -1.7212 0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2982 -2.7391 -0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.9480 1.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3522 2.2965 0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5378 1.2491 -1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6231 1.6788 0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9868 -0.4153 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 -0.1114 -2.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -1.7463 -1.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 -2.2904 -0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 -1.5312 1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 -0.9195 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1198 -1.5848 0.1390 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 3 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 14 15 1 0 15 8 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 5 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 M CHG 2 11 1 13 -1 M END