HMDB0061012 RDKit 3D (2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)m... 48 50 0 0 0 0 0 0 0 0999 V2000 1.0756 -2.0189 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -0.6909 -0.5340 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0628 0.0633 0.2146 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1943 -0.3642 0.7880 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3767 0.1793 2.0427 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9815 -0.7128 2.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7487 -1.7566 2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3679 -1.3076 0.9066 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4801 -0.4629 0.0712 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2449 0.6903 -0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4159 0.4059 -1.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2685 1.3786 -1.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0056 2.6873 -1.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8344 3.6875 -1.5131 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8567 3.0152 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 2.0061 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1052 -0.2392 -0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7141 0.5185 0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0387 0.8370 0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 1.6072 1.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5701 2.5010 0.6912 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 0.7704 2.0700 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 2.2985 2.1157 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8075 0.4011 -0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 -0.3233 -1.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0576 -0.8321 -2.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8776 -2.2204 -2.9572 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 -0.3158 -4.1149 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3936 -0.5461 -2.7900 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8978 -0.6307 -1.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9284 -2.4251 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3852 -1.6652 1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 -2.7170 0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2817 -1.3241 -1.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0074 -1.5142 0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6221 -0.2331 3.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1588 -1.2485 3.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6081 -2.0539 2.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1773 -2.7097 2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2171 -0.7466 1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3172 -1.0745 -0.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6514 -0.6229 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1888 1.1554 -2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6637 4.0514 -0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0968 2.2222 0.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 0.8377 1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8695 0.6586 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4901 -1.2160 -2.5908 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 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 2 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 19 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 25 30 2 0 9 4 1 0 16 10 1 0 30 17 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 6 4 35 1 1 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 9 41 1 6 11 42 1 0 12 43 1 0 15 44 1 0 16 45 1 0 18 46 1 0 24 47 1 0 30 48 1 0 M END