HMDB0242230 RDKit 3D ((4-(3-(4-Fluoro-alpha-hydroxybenzyl)-4-hydroxyphenoxy)-3,5-dimethylphenyl)am... 51 53 0 0 0 0 0 0 0 0999 V2000 1.4274 1.7744 1.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 1.2428 0.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 0.3399 0.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8465 -0.2047 -0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9137 -1.1265 -0.1733 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2849 -1.7850 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6953 -1.6241 2.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 -2.7219 0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0306 -2.8993 -0.1235 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 -3.3689 2.1023 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4458 0.1703 -1.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4059 1.0518 -1.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0184 1.4189 -3.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7168 1.6027 -0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 2.4787 -0.8206 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6485 2.1409 -0.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5872 3.1448 -1.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9257 2.8375 -1.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3921 1.5390 -1.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7539 1.2986 -1.3516 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4687 0.5315 -1.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9786 -0.8604 -0.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -1.7793 -1.1432 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6563 -1.1914 0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9645 -0.2611 1.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 -0.6104 2.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9526 -1.9144 2.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5814 -2.3102 3.8148 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6528 -2.8651 1.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0056 -2.5015 0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1265 0.8478 -0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1233 2.3134 2.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 0.9678 2.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 2.4673 1.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4344 0.0958 1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4846 -1.3390 -1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7479 -3.3354 2.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9762 -0.2531 -2.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2054 0.7303 -3.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5907 2.4276 -3.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8639 1.2800 -3.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2337 4.1834 -1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6645 3.6297 -1.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1325 0.3643 -1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6854 -1.0504 -1.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3598 -1.6972 -0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7064 0.7911 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8410 0.1426 3.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9253 -3.8972 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7675 -3.2465 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4075 0.0598 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 8 10 1 0 4 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 2 0 21 31 2 0 14 2 1 0 31 16 1 0 30 24 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 5 36 1 0 10 37 1 0 11 38 1 0 13 39 1 0 13 40 1 0 13 41 1 0 17 42 1 0 18 43 1 0 20 44 1 0 22 45 1 0 23 46 1 0 25 47 1 0 26 48 1 0 29 49 1 0 30 50 1 0 31 51 1 0 M END