HMDB0284768 RDKit 3D PE(DiMe(11,5)/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 139139 0 0 0 0 0 0 0 0999 V2000 1.7284 -4.3455 -2.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3586 -4.5438 -3.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6799 -4.9884 -2.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -4.0355 -1.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3367 -2.7279 -1.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6081 -1.6740 -0.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 -0.6722 -0.5713 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3691 0.0680 0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7749 1.2803 0.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 1.0414 2.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2456 2.3570 2.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4536 2.8972 2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6574 2.0417 2.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9294 2.3971 1.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4433 3.7820 1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7731 4.8431 1.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1844 4.6473 -0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3895 5.6158 -1.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 5.0938 -1.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8683 3.8035 -1.4277 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8194 5.7514 -1.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4147 5.0418 -1.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8677 4.5126 -2.4957 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1596 3.7032 -2.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7548 3.2961 -3.3643 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 2.4179 -2.9839 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.8281 0.9867 -2.5975 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1304 2.3660 -4.3672 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0478 3.1218 -1.7595 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3012 2.2338 -0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1231 2.8506 0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4186 3.3066 -0.1025 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0194 3.6557 -3.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 3.8871 -4.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3494 4.9430 -5.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1086 3.1687 -5.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6907 1.8579 -5.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6864 1.7160 -4.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2536 0.3455 -4.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2077 -0.5189 -3.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -0.2595 -1.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5526 -0.4472 -0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4145 -1.3080 0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2035 -2.1882 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6908 -3.5945 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3419 -4.3871 1.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -4.0135 2.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0845 -4.1108 3.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5743 -4.8664 4.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3717 -5.6802 4.5085 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7718 -4.9677 4.2076 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0851 -6.5321 5.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1388 -5.8032 6.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -4.8630 6.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4723 -4.1843 8.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.4803 0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5808 -0.0051 1.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7301 -1.5907 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 -2.5457 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8522 -3.3211 -2.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4581 -4.4327 -3.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0102 -5.1350 -2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4336 -5.3537 -4.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0684 -3.6352 -4.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -5.9967 -2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6474 -5.0387 -3.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6153 -4.4724 -0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0598 -3.9286 -0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1714 -2.8189 -2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4654 -2.3497 -2.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0482 1.6749 0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5419 2.0808 1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1088 0.7638 3.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 0.2979 2.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 2.2790 3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 3.1160 2.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2035 3.1791 1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6794 3.8756 2.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3513 0.9993 1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8165 1.8205 3.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7395 1.7133 2.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8549 2.0970 0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5288 3.7886 1.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3756 4.0228 2.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 5.8204 1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7243 4.9784 1.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0267 3.6056 -0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2718 4.8692 -0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8636 5.5574 -2.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 6.6098 -0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1517 5.7443 -0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3804 4.1841 -0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 5.3023 -3.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9147 2.7980 -1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8627 4.3048 -1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6473 1.5259 -4.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7343 1.2766 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 1.9903 -0.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3159 2.0956 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6049 3.6975 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1077 3.1669 0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7386 2.7072 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5781 3.1639 -6.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0126 3.8506 -5.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3001 1.5665 -6.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9431 1.0160 -5.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4987 2.4586 -4.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0805 1.8536 -3.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 0.0099 -5.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6707 -1.5150 -3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3728 0.8710 -1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6229 -0.7793 -1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4418 0.1950 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1681 -1.4153 1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7079 -1.9034 1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4818 -2.0229 -0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3454 -3.9295 -0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7314 -5.4103 1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9669 -3.0670 2.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6096 -4.7744 2.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9868 -3.5280 3.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0766 -4.8922 5.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -6.3830 3.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5974 -5.4549 4.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8952 -7.3050 5.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8285 -7.1518 5.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3061 -6.5225 7.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8105 -5.2732 7.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1411 -4.0351 6.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2119 -5.4001 6.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5121 -4.8897 9.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4711 -3.6601 8.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7205 -3.3916 8.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5448 1.0972 1.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6099 -0.2715 1.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4036 -0.5099 2.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7426 -3.4096 0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8349 -2.0527 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 -2.8842 -1.2135 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 23 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 8 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 6 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 22 91 1 0 22 92 1 0 23 93 1 6 24 94 1 0 24 95 1 0 28 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 49122 1 0 50123 1 6 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 57134 1 0 57135 1 0 57136 1 0 59137 1 0 59138 1 0 59139 1 0 M END