HMDB0250601 RDKit 3D Ciadox 29 30 0 0 0 0 0 0 0 0999 V2000 -2.7965 -0.7076 -5.7525 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9567 -0.3109 -4.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1881 0.2019 -3.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0762 1.0625 -2.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0801 1.2858 -3.6118 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1336 1.6492 -1.5990 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 2.4414 -1.1703 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1291 2.2953 -0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 1.0977 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4401 -0.0732 0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0696 -1.2086 0.8822 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.8248 -2.3461 0.7693 O 0 0 0 0 0 1 0 0 0 0 0 0 1.0269 -1.1874 1.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4172 -2.3263 2.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5597 -2.2352 3.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 -1.0784 3.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9027 0.0321 2.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7577 -0.0216 1.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3846 1.0900 1.0607 N 0 0 0 0 0 4 0 0 0 0 0 0 2.1021 2.2612 1.1358 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.2959 -0.6903 -2.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1566 0.7594 -3.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9946 1.4367 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5342 3.1910 -0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3464 -0.1503 -0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -3.2002 2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8646 -3.1385 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 -1.0914 3.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 0.9619 2.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 3 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 9 1 0 18 13 1 0 3 21 1 0 3 22 1 0 6 23 1 0 8 24 1 0 10 25 1 0 14 26 1 0 15 27 1 0 16 28 1 0 17 29 1 0 M CHG 4 11 1 12 -1 19 1 20 -1 M END