HMDB0008913 RDKit 3D PE(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 124123 0 0 0 0 0 0 0 0999 V2000 11.9562 -0.1742 2.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2740 0.0489 1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4703 1.1889 0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5778 1.1222 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2454 -0.1165 -0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8109 -0.4579 -0.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9112 -0.5623 -1.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2646 -0.3415 -3.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7262 0.7268 -3.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9488 1.6783 -3.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3587 1.9791 -2.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8377 3.3521 -1.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0193 4.3279 -1.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5506 4.3095 -1.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 4.7401 -0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1358 4.0698 0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5669 2.7364 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9269 1.8714 1.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 0.7580 1.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0366 0.1310 -0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3935 -1.2480 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 -1.1400 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2893 -0.7187 -1.3766 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1743 -1.5032 0.7349 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2352 -1.4603 0.8576 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6548 -0.5123 1.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0866 -0.4545 2.0636 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6888 0.3274 3.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8555 0.9601 3.7775 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 0.5180 3.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0760 0.0547 2.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0172 -1.3836 1.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9738 -1.9189 0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9935 -1.4748 -0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2900 -0.0748 -0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6516 0.3685 -0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8720 1.7921 -0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2247 2.3215 -0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3548 1.4950 -0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6758 2.0159 -0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9234 3.4660 -0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9119 3.6750 -2.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1582 5.1244 -2.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7912 -2.8189 1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4912 -3.7984 0.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1338 -5.3059 0.7777 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4723 -6.0626 -0.4793 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5073 -5.0442 1.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 -6.0785 1.7101 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -7.3354 1.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3872 -8.0262 2.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6349 -9.3262 1.4043 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5990 0.7801 3.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2008 -0.9800 2.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9258 -0.4719 3.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3716 0.3701 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2044 -0.8697 0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6703 2.1532 1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0274 2.0418 -0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8450 -0.9700 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5912 -0.0360 -1.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4513 -0.6468 0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8737 -0.8773 -1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9496 -1.3561 -3.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3882 -0.4288 -3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0557 0.7041 -4.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6646 2.3958 -4.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5244 1.2658 -1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2643 2.0553 -2.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9059 3.4696 -1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4968 5.2920 -1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0863 3.4277 -2.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2726 5.1443 -2.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3236 5.7552 -0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 4.5934 1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9086 2.4007 -0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4415 2.8881 0.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6224 2.2248 2.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7731 0.2033 2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1186 -0.0651 -0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9026 0.6935 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7153 -1.8954 0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7189 -1.7413 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6423 -1.0828 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3443 0.5439 1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 -0.7926 2.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4361 0.0140 4.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3122 1.6209 3.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0957 0.2294 2.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0671 0.7213 1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9507 -1.6325 1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1435 -1.9841 2.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8627 -3.0653 0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0243 -1.7281 1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0276 -1.7512 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7406 -2.1300 -1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4983 0.6446 -0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4332 -0.1147 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7357 0.2368 0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4157 -0.3058 -0.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7658 1.9618 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0870 2.4141 -0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2317 2.2605 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2928 3.3579 -0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2512 0.4618 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2724 1.5018 -1.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7270 1.9002 0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4851 1.4057 -0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1613 4.1250 -0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9004 3.7587 -0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8729 3.4101 -2.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6676 3.0602 -2.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2845 5.7766 -2.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3971 5.2486 -3.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0354 5.4918 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8546 -2.7166 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -3.0979 2.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1906 -4.4403 2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -8.0139 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -7.1970 0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 -8.2537 3.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3484 -7.4759 2.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7733 -9.9168 1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3696 -9.7874 1.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 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 25 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 25 84 1 6 26 85 1 0 26 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 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 43115 1 0 44116 1 0 44117 1 0 48118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 M END