HMDB0276570 RDKit 3D PI(18:1(9Z)/20:4(5Z,7E,11Z,14Z)-OH(9)) 143143 0 0 0 0 0 0 0 0999 V2000 1.4788 -9.3482 -1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4294 -10.1539 -0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4657 -10.2204 0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5951 -10.7939 1.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9482 -10.1615 1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9342 -8.8133 1.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3807 -7.7507 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -7.6791 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3628 -7.0888 0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6586 -5.9500 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 -5.1583 -1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4719 -5.0058 -2.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6562 -4.3193 -2.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5942 -4.6895 -3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1054 -3.5046 -3.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3861 -2.3728 -3.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 -1.1697 -3.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2307 -0.0670 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8911 1.0844 -3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9622 1.6258 -4.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6846 2.1012 -3.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6435 3.2599 -3.1801 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5349 1.3341 -3.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3092 1.6989 -3.1053 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1577 0.8695 -1.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7138 0.9116 -0.8257 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 0.2876 0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -0.3025 0.2757 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0598 0.2074 1.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2179 1.0634 1.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 2.5244 1.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 3.3212 0.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7313 4.7819 0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7272 5.4711 1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 5.1096 3.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7607 3.9472 2.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0528 4.0350 3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6728 5.3014 3.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3647 5.3321 4.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6359 4.5967 5.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7174 3.1620 4.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0946 2.5736 5.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5173 2.6507 6.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9071 2.0254 6.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9128 0.5690 6.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8338 1.7955 -4.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7483 2.7725 -5.0268 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2356 2.6935 -5.8851 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5022 1.2571 -6.3146 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1754 3.7344 -7.2089 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 3.1400 -4.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1014 4.1657 -3.9888 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7400 5.4871 -4.4551 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7254 5.5936 -5.8225 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9521 6.5862 -3.7809 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4535 7.8262 -4.0854 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8306 6.3373 -2.2917 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4966 6.1261 -1.8979 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7369 5.2434 -1.8351 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0478 5.6523 -1.8016 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5609 3.9417 -2.5901 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7983 3.2861 -2.6246 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4561 -9.8408 -1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1654 -9.1854 -2.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4955 -8.3074 -1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3822 -11.2012 -1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5564 -9.6809 -1.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5066 -10.7573 0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2474 -9.1511 1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7922 -11.8707 1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3153 -10.9556 2.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4804 -10.2779 0.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5647 -10.7829 2.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5107 -8.6894 2.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3021 -6.7875 1.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -7.0771 -0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0819 -8.6981 -0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0897 -7.5976 0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6896 -5.5848 -0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6195 -4.1588 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8094 -5.5555 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8476 -6.0976 -2.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9545 -4.1920 -1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2957 -5.4883 -4.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4289 -3.3297 -4.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0421 -2.4674 -2.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2173 -0.9772 -4.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3236 0.3154 -1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9337 -0.4262 -1.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2410 1.8297 -2.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7709 0.6602 -3.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4874 2.4841 -4.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 0.8179 -4.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4349 2.7834 -2.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2034 1.1522 -1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2334 -0.1983 -2.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3237 0.3167 2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4324 -0.8824 1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7526 0.7724 2.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 0.8041 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2902 2.8438 1.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8287 2.8914 2.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6126 3.0652 0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2934 3.0785 -0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 5.3243 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7621 5.0216 1.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1015 5.7676 0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1452 6.5425 1.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9974 4.8595 3.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2791 6.0231 3.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4371 2.9463 2.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6597 3.1062 3.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0803 6.2137 3.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5707 5.3858 2.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6429 5.0167 5.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5838 6.4095 5.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0892 4.8088 6.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3923 5.1197 4.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7009 3.1021 3.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9548 2.5648 5.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1755 1.5588 4.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8723 3.1751 4.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6146 3.7293 6.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8216 2.0912 7.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6684 2.5609 6.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2581 2.1066 7.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7960 0.5144 5.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0771 0.0075 6.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8653 0.0772 6.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9459 0.8167 -4.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7852 1.8898 -3.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5268 3.4181 -7.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0034 4.2939 -4.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7782 5.4772 -4.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5343 5.0970 -6.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9151 6.5105 -4.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3195 7.7961 -4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1504 7.2759 -1.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9942 6.9151 -2.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4483 5.0123 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5591 4.9996 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8773 3.2521 -2.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7189 2.3435 -2.3355 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 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 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 29 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 2 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 24 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 61 52 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 15 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 24 94 1 1 25 95 1 0 25 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 50132 1 0 52133 1 1 53134 1 1 54135 1 0 55136 1 6 56137 1 0 57138 1 1 58139 1 0 59140 1 1 60141 1 0 61142 1 1 62143 1 0 M END