HMDB0250488 RDKit 3D Coumaphos 38 39 0 0 0 0 0 0 0 0999 V2000 -3.0733 -3.3076 1.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 -2.0029 0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1549 -0.9701 1.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5459 0.5406 0.6965 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1480 1.4377 2.0916 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8343 1.3557 -0.0843 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2512 2.4415 -0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2691 3.2583 -1.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3283 0.2977 -0.3884 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0018 0.1487 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7677 -0.0453 -1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 -0.2055 -1.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7973 -0.1803 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1646 -0.3364 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9698 -0.5406 -1.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 -0.3029 1.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5126 -0.4930 1.3797 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9845 -0.1084 2.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4804 -0.0679 3.4133 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6828 0.0390 2.1662 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 0.0100 0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 0.1715 0.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4306 -3.2039 2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3175 -4.1288 1.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -3.5937 0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4102 -2.0044 0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6748 -1.8228 -0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4524 2.0642 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7147 3.1140 -0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8117 3.5887 -2.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2048 2.6984 -1.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5175 4.1520 -0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2884 -0.0735 -2.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -0.3578 -2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8628 0.3308 -1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5095 -1.4029 -1.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0068 -0.8180 -1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1279 0.3178 1.8295 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 4 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 2 0 22 10 1 0 21 13 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 8 32 1 0 11 33 1 0 12 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 22 38 1 0 M END