HMDB0250069 RDKit 3D 3-(4-Methylsulfonylphenyl)-4-phenyl-5-trifluoromethylisoxazole 37 39 0 0 0 0 0 0 0 0999 V2000 5.4695 0.4228 1.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6336 1.5232 0.6701 S 0 0 0 0 0 6 0 0 0 0 0 0 5.5836 1.9213 -0.4372 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3106 2.7862 1.4584 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1597 0.8666 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 0.0557 -1.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9561 -0.4156 -1.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7069 -0.1019 -1.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 -0.6226 -1.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5068 -1.1477 -2.9514 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6968 -1.5593 -3.2504 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -1.3556 -2.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9541 -1.6785 -2.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3285 -2.2613 -3.4100 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7177 -0.5230 -1.9942 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2475 -2.5443 -1.2055 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7691 -0.7515 -1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2947 -0.3278 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0028 0.8508 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5332 1.2572 1.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3588 0.4673 2.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -0.7035 2.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1331 -1.0931 1.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7466 0.7055 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 1.1906 0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5309 0.2693 1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0121 -0.6050 1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3393 0.7337 2.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 -0.1958 -1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9685 -1.0603 -2.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1416 1.4734 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 2.1869 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7827 0.7929 3.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5321 -1.3133 3.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -2.0386 1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 0.9689 0.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9215 1.8262 1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 12 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 8 24 1 0 24 25 2 0 25 5 1 0 17 9 1 0 23 18 1 0 1 26 1 0 1 27 1 0 1 28 1 0 6 29 1 0 7 30 1 0 19 31 1 0 20 32 1 0 21 33 1 0 22 34 1 0 23 35 1 0 24 36 1 0 25 37 1 0 M END