HMDB0242725 RDKit 3D (2R)-3-(4-Cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-met... 42 43 0 0 0 0 0 0 0 0999 V2000 -1.4659 1.1071 3.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8264 -0.1813 2.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9566 -0.6828 3.2817 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 -1.2565 2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4114 -1.0898 2.2839 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5641 -0.9226 1.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0844 -1.7836 0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3282 -1.6061 0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 -0.5425 0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3972 -0.3534 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4227 -0.1904 -0.4603 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6293 0.3391 1.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3913 0.1353 2.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 0.0316 1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2568 -0.2966 0.7677 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1814 0.6065 0.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3641 0.8320 -1.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 1.8133 -1.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2098 1.9108 -2.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 1.0451 -3.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 1.1426 -5.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7261 1.2116 -6.3559 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 0.0458 -3.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -0.9052 -4.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8313 -0.1497 -4.8881 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9978 -1.4074 -5.0381 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5685 -1.8874 -3.4298 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6915 -0.0475 -1.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1488 1.8972 2.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4204 1.3569 3.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6988 1.0322 4.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6081 0.0070 3.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6908 -1.3905 3.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2514 -2.2212 2.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5166 -2.6403 0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.2777 -0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2822 1.1555 1.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0636 0.8724 2.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 0.9266 0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6613 2.5062 -0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8079 2.6904 -3.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0884 -0.8326 -1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 3 0 9 12 1 0 12 13 2 0 2 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 3 0 20 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 23 28 2 0 13 6 1 0 28 17 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 7 35 1 0 8 36 1 0 12 37 1 0 13 38 1 0 16 39 1 0 18 40 1 0 19 41 1 0 28 42 1 0 M END