HMDB0112634 RDKit 3D PS(20:3(8Z,11Z,14Z)/24:0) 154153 0 0 0 0 0 0 0 0999 V2000 -1.9329 -0.3567 -6.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9459 0.4153 -5.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 1.8458 -6.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 1.9867 -7.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9284 1.4537 -8.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 2.0274 -7.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1069 1.4917 -6.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4059 0.1037 -6.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5464 -1.0004 -6.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0881 -1.8806 -6.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4786 -1.7725 -4.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2127 -3.0241 -4.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9267 -3.8340 -3.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7814 -3.6568 -2.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5278 -3.7329 -0.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 -2.6131 -0.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7979 -1.2753 -0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2253 -1.4055 0.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6944 -0.1631 1.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5298 0.4217 0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6091 -0.0868 1.0157 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5177 1.4361 -0.2306 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6221 1.9712 -0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3952 1.1059 -1.7561 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6139 1.9233 -2.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3509 2.1718 -1.0674 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7523 3.0564 -1.3976 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.9277 2.1079 -1.2132 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7236 3.6760 -2.9678 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9087 4.3254 -0.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9505 5.1730 -0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0816 6.3175 0.3221 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8476 7.0981 0.3700 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4053 5.8415 1.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4412 5.1610 1.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5817 6.1227 2.7725 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8244 -0.0871 -1.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4981 -1.3235 -1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 -1.2429 -2.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8326 -2.6339 -1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9444 -2.6104 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0624 -4.0372 0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0832 -4.4014 1.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 -3.6973 2.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6902 -3.8743 3.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7601 -3.2996 4.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1346 -1.8680 4.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3328 -1.3903 6.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3156 -1.1549 7.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2088 -2.0618 7.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -1.9677 6.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 -0.6091 6.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8158 -0.2148 5.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0604 -1.0508 6.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2231 -0.3902 5.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0811 -0.0534 4.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3962 0.6423 3.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 1.0603 2.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5325 1.7784 1.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2428 2.1707 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 2.9110 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0471 3.2811 -1.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 0.3152 -7.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6159 -0.9688 -6.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3272 -1.0545 -7.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4942 0.5002 -4.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -0.1105 -5.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8302 2.2929 -6.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1809 2.3734 -5.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3747 3.1014 -7.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 1.5807 -8.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9639 1.7482 -9.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9004 0.3428 -8.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1595 3.1628 -7.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9457 2.2234 -6.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8812 0.0525 -5.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3862 -0.1309 -7.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2619 -1.2164 -7.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 -2.7012 -6.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -1.6705 -4.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0801 -0.9257 -4.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0865 -3.2235 -4.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5676 -4.7402 -3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3607 -2.6528 -2.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 -4.4530 -2.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1067 -4.7093 -0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7044 -3.8054 -0.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0608 -2.4630 -1.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2409 -2.7475 -0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0329 -1.0835 -1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5393 -0.4449 -0.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3766 -2.1703 0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9495 -1.8870 1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4615 -0.3025 2.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5411 0.5972 1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 2.3189 0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 2.9694 -1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7492 0.8925 -2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1672 1.4051 -3.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1867 2.8603 -2.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5931 4.0343 -3.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7432 5.5624 -1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9340 4.6470 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8775 6.9969 -0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7398 7.4340 1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0363 6.4823 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 5.6456 2.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -3.1311 -0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1462 -3.3642 -1.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8797 -2.2202 -0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5843 -1.9433 0.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2421 -4.6346 -0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0494 -4.3827 0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9335 -5.5044 1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1206 -4.2930 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7855 -4.0864 3.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 -2.6191 2.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5281 -4.9652 3.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -3.4515 2.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6498 -3.8675 5.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 -3.6194 5.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 -1.6789 4.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 -1.1908 4.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2016 -2.0358 6.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9695 -0.4092 5.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 -1.1215 8.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.0569 7.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7598 -1.8725 8.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5077 -3.1162 7.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2118 -2.0872 5.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7148 -2.7297 6.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1998 0.1267 6.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 -0.4177 7.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 0.8156 6.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.0594 4.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8837 -2.0206 5.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3321 -1.2970 7.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5303 0.4690 6.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0916 -1.1137 5.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9341 -0.9697 3.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2779 0.6419 3.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 0.0088 3.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5333 1.5634 4.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1227 0.1742 1.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4619 1.8357 2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 2.6872 2.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4162 1.1394 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0598 1.2587 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3870 2.8934 0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3063 2.2696 -0.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5972 3.8648 0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5022 4.2426 -1.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4251 2.4558 -2.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9764 3.3146 -2.4147 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 0 23 97 1 0 24 98 1 6 25 99 1 0 25100 1 0 29101 1 0 31102 1 0 31103 1 0 32104 1 6 33105 1 0 33106 1 0 36107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 57142 1 0 57143 1 0 58144 1 0 58145 1 0 59146 1 0 59147 1 0 60148 1 0 60149 1 0 61150 1 0 61151 1 0 62152 1 0 62153 1 0 62154 1 0 M END