HMDB0009402 RDKit 3D PE(20:4(5Z,8Z,11Z,14Z)/22:0) 143142 0 0 0 0 0 0 0 0999 V2000 -6.3812 -2.0195 0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6141 -2.2908 2.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8088 -3.4594 2.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8968 -3.9211 4.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4026 -3.0047 5.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1077 -1.7367 5.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4884 -0.5756 5.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0384 -0.3790 4.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 0.3925 3.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3792 1.5331 3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7605 2.3934 4.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6969 2.1092 5.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5877 1.8901 6.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2537 1.9133 5.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6558 2.9485 6.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8055 2.6334 6.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3533 1.2916 7.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 1.2556 6.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3295 1.5497 4.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5977 1.4685 4.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3041 2.4795 3.8447 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0271 0.2515 3.5971 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1899 0.0649 2.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3262 -1.4417 2.5222 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4509 -1.6653 1.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3715 -0.8575 0.4409 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7073 -1.2247 -0.5596 P 0 0 0 0 0 5 0 0 0 0 0 0 9.9332 -0.7353 0.1935 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8678 -2.8999 -0.7531 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6405 -0.4245 -2.0241 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4089 -0.6047 -2.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4836 0.1728 -3.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2312 0.0429 -4.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0815 -1.7491 1.8483 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1645 -2.5611 2.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4937 -2.9824 3.6468 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8777 -2.9214 1.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9468 -1.7604 1.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4395 -0.7152 0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 0.4073 0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7586 1.4604 -0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7925 2.5778 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6408 2.2099 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4444 3.4934 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 3.3803 -0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5053 2.7230 -1.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2748 3.1312 -3.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8473 2.9179 -3.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8815 3.3663 -5.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 3.3935 -6.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 2.2095 -6.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8012 1.6363 -5.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6075 0.4272 -5.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 -0.8699 -6.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2395 -1.0763 -7.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9489 -0.7523 -8.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -1.0292 -9.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9148 -2.8927 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3376 -1.8176 0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7483 -1.1216 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7105 -2.5254 2.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3916 -1.3696 2.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0371 -4.3383 1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7318 -3.2322 2.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0166 -4.1555 4.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4464 -4.9562 4.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5976 -3.6105 6.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3015 -2.9623 4.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2145 -1.7229 5.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0717 0.3457 5.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6161 -1.4227 4.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5978 0.0036 5.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3465 -0.1147 2.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3806 1.9687 2.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3229 3.4236 4.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7491 2.7554 4.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6163 2.0906 6.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6433 1.6888 7.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2225 0.8781 5.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2553 2.0644 4.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3747 3.9966 6.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4035 3.4850 7.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7434 1.1473 8.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 0.4457 6.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 2.0245 6.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 0.2530 6.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0234 2.6161 4.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 0.8385 4.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0935 0.4686 3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0103 0.5509 1.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4053 -1.9839 3.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4295 -1.4382 2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4968 -2.7426 1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1821 -3.2753 -1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1531 -1.6330 -2.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5982 -0.0759 -2.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2683 -0.2549 -4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7097 1.2244 -3.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8631 0.9456 -4.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5346 -0.5221 -4.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3419 -3.6467 2.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 -3.4567 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8473 -1.3018 2.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9242 -2.0666 1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4416 -0.3367 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4746 -1.1827 -0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4636 0.8675 1.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 -0.0611 0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7815 1.8368 0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 0.9780 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1381 3.3426 -1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8841 3.1178 0.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0078 1.5899 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7658 1.6259 -1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3384 3.9404 0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9666 4.3019 -1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3282 3.0133 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2837 4.4584 -0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6393 2.7126 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3228 1.5837 -1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0111 2.5985 -3.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5509 4.2221 -3.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 1.8192 -3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 3.4411 -3.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2962 4.4427 -5.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7939 2.8489 -5.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1456 3.9099 -7.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0115 4.1671 -5.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5664 1.5073 -7.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7698 2.6228 -7.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5898 2.4608 -5.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2442 1.6122 -4.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4565 0.6106 -6.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 0.2924 -4.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4764 -1.3388 -5.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9143 -1.5958 -6.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0426 -2.2212 -7.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7976 -0.7066 -7.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8332 -1.4480 -8.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2799 0.2899 -8.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5226 -0.0762 -9.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -1.8370 -9.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6307 -1.2764 -10.5339 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 2 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 24 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 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 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 0 23 90 1 0 24 91 1 1 25 92 1 0 25 93 1 0 29 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 57143 1 0 M END