HMDB0061000 RDKit 3D 4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-pyridinium (HPP+) 43 45 0 0 0 0 0 0 0 0999 V2000 2.7394 -1.3189 0.6961 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 -0.4332 0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 0.5854 -0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 0.4404 -0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7249 0.6686 0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7288 0.5219 0.2244 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.3631 -0.6362 0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7201 -0.8171 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4973 0.2854 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9327 0.1897 -0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7504 -0.6904 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1124 -0.7627 0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6895 0.0601 -0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4129 -0.0410 -1.1251 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.9098 0.9557 -1.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5426 1.0052 -1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8202 1.4768 -0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4614 1.6088 -0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9032 -0.3562 0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7132 0.6232 0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0731 0.6903 0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6272 -0.2646 1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9414 -0.2575 1.5108 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8034 -1.2422 1.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4437 -1.3044 1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1881 1.5807 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4688 0.6178 -1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0466 1.1273 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 -0.5832 -1.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 0.0325 1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 1.7410 0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7505 -1.5065 0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2199 -1.7599 0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3063 -1.3539 1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7560 -1.4645 0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3862 1.5944 -2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9194 1.7013 -1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3932 2.3667 -0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9233 2.5397 -0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2604 1.3541 -0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7004 1.4647 -0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2046 -1.9945 2.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8024 -2.0595 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 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 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 9 17 1 0 17 18 2 0 2 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 18 6 1 0 25 19 1 0 16 10 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 7 32 1 0 8 33 1 0 11 34 1 0 12 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 20 40 1 0 21 41 1 0 24 42 1 0 25 43 1 0 M CHG 1 6 1 M END