HMDB0285605 RDKit 3D PC(20:4(5E,8Z,12Z,14Z)-OH(11R)/14:0) 129128 0 0 0 0 0 0 0 0999 V2000 0.2753 -9.3694 -10.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5175 -8.1602 -10.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9621 -7.3311 -9.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8357 -8.0981 -8.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2975 -7.3131 -7.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1917 -6.8384 -6.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9151 -5.5855 -5.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7164 -4.5009 -6.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4358 -3.2696 -6.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 -2.8503 -5.2658 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2461 -3.6450 -4.1388 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0206 -2.7134 -5.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 -2.3197 -4.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -1.2428 -4.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.1818 -5.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2275 1.1231 -5.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0678 2.1448 -5.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7307 3.4776 -4.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6934 3.7094 -3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4047 5.0332 -2.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3389 5.1858 -1.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4786 5.6430 -1.5938 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9281 4.8091 -0.1706 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7051 4.8563 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8647 4.3557 2.1851 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7733 4.2326 3.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8158 3.3350 3.0976 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8399 3.1449 4.4268 P 0 0 0 0 0 5 0 0 0 0 0 0 6.2986 3.8452 5.6604 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4086 3.6209 4.0638 O 0 0 0 0 0 1 0 0 0 0 0 0 6.8062 1.4714 4.7947 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4735 1.0540 4.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3376 -0.3962 5.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 -0.8358 5.2648 N 0 0 0 0 0 4 0 0 0 0 0 0 3.8750 -2.2516 5.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 -0.1161 6.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 -0.5566 3.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3175 3.0772 1.8447 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 2.9594 1.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 3.9991 2.1991 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1655 1.7670 1.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3148 1.8937 1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9546 2.9656 0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4916 2.8656 1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 3.9621 0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6518 3.9092 0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4354 3.8824 1.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3897 2.7305 2.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3425 2.9304 3.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0018 4.1160 4.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6179 4.0498 5.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4479 2.8511 6.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0587 2.8601 6.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2809 -9.1039 -9.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2777 -10.0221 -9.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4507 -10.0144 -10.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1188 -7.5480 -11.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 -8.5457 -11.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5707 -6.4945 -9.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0996 -6.8273 -8.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4308 -9.0747 -7.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7808 -8.3590 -8.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8881 -8.0672 -6.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0411 -6.5725 -7.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5251 -7.6295 -5.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -5.4294 -5.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5956 -4.6663 -7.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1021 -2.4833 -6.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6053 -1.8221 -4.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5392 -3.2134 -3.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0645 -1.9899 -6.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3791 -3.7324 -6.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0325 -3.0484 -3.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3218 -1.0839 -3.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9908 -0.3154 -6.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6788 -0.0051 -6.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2412 1.2245 -4.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0406 2.0009 -5.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7229 3.3703 -3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7411 4.2984 -5.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7163 2.8564 -2.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7068 3.7610 -3.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3796 5.1329 -2.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6318 5.8364 -3.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0232 5.9028 1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5881 4.2131 0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0861 5.0877 2.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 3.8481 4.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2298 5.2082 3.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0536 1.6176 5.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9632 1.4012 3.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9027 -0.9968 4.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 -0.6408 6.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5447 -2.6320 6.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1619 -2.8091 4.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -2.5613 5.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5485 -0.2771 7.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 0.9588 5.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 -0.5386 6.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1393 0.5219 3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3748 -1.0690 3.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0058 -0.9026 3.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.9676 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4716 1.3578 0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7486 0.9163 1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5874 1.9683 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6386 3.9849 0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8698 2.7694 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8561 1.8580 0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6093 3.0666 2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7914 4.1025 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 4.9787 0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0015 4.7987 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9598 3.0464 -0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2663 4.8058 2.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5433 4.0071 1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 2.4087 2.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8107 1.8372 2.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2657 2.0149 4.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3562 3.0768 3.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7342 4.1280 5.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1119 5.0874 4.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5207 4.9623 5.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8186 4.0816 4.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5543 1.9075 5.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 2.8411 6.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0725 2.8700 7.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 3.7316 6.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4717 1.9528 6.3654 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 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 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 10 69 1 1 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 0 24 86 1 0 25 87 1 1 26 88 1 0 26 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 35 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 37102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 53129 1 0 M CHG 2 30 -1 34 1 M END