HMDB0274580 RDKit 3D PGP(20:3(8Z,11Z,14Z)-O(5,6)/a-21:0) 149149 0 0 0 0 0 0 0 0999 V2000 -1.3366 -3.3360 2.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2689 -3.2647 4.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0224 -2.5158 4.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1544 -3.2801 4.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4704 -2.5804 4.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5348 -3.4018 3.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3793 -3.0603 2.8821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3479 -1.7361 2.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6115 -0.9640 2.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2226 -0.5587 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6810 -0.8646 -0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 0.3753 -0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6911 0.7993 -1.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 0.1648 -2.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1554 -0.2956 -4.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2106 -0.8382 -4.8279 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4908 0.3361 -5.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6462 -0.0893 -6.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0861 0.6081 -7.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8397 2.0694 -7.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4587 2.4917 -8.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 2.1076 -9.1514 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7031 3.2415 -7.2065 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 3.5483 -7.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5501 4.3924 -6.8218 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4570 5.6694 -6.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 5.3651 -5.5825 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4301 5.1182 -4.5663 P 0 0 0 0 0 5 0 0 0 0 0 0 5.7482 4.6539 -5.2503 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8738 6.4865 -3.6295 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9844 3.8538 -3.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9965 4.2838 -2.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5988 3.1991 -1.6765 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6029 3.7486 -0.8282 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0033 1.9810 -2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7751 1.2769 -3.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9321 -0.0791 -3.7307 P 0 0 0 0 0 5 0 0 0 0 0 0 2.6624 -0.8564 -4.7606 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5532 -1.0275 -2.3916 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4925 0.4868 -4.4552 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0529 3.9557 -5.5807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2531 4.2655 -5.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9405 4.9240 -6.0353 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8663 3.8907 -3.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 4.5032 -3.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9216 4.2569 -2.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1614 2.8322 -2.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8381 2.7694 -0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1198 1.3768 -0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7924 1.4222 1.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1282 0.0574 1.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8236 0.1562 2.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9926 0.8172 4.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7211 0.9639 5.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2002 -0.2338 6.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1452 -1.2066 6.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8295 -2.3516 7.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9743 -3.3812 7.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -4.1274 6.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2682 -5.1903 7.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1767 -6.2163 8.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2961 -4.6606 8.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2516 -3.7619 8.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3789 -3.5887 2.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0791 -2.3565 2.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6521 -4.0899 2.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -2.6899 4.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3426 -4.2707 4.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 -1.5161 4.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0181 -2.4578 5.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0815 -3.3389 2.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 -4.2884 4.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 -2.6913 5.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4338 -1.5667 4.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6355 -4.4294 4.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1306 -3.7932 2.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8578 -1.7056 1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5946 -1.1054 2.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0399 -0.7325 3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1535 0.0184 1.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5638 -1.2493 -0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -1.5954 -0.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4644 0.9611 -0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 1.7756 -2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2393 -0.6721 -2.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4743 0.9442 -2.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2593 -0.9365 -3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 1.2446 -5.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6154 0.2922 -6.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7067 -1.1626 -6.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5692 0.1067 -8.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1735 0.3947 -8.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4549 2.4116 -8.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3570 2.5819 -7.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 4.0425 -8.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8652 2.5855 -7.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7479 4.9173 -7.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7945 6.0578 -7.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6823 6.4080 -6.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 6.9480 -3.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3659 5.1703 -2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1245 4.7059 -3.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4883 2.9169 -1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0912 2.9835 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 2.1231 -2.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7756 1.2807 -1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 -1.9504 -2.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0225 -0.3433 -4.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9581 2.7666 -3.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3021 4.2524 -3.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2484 5.5658 -4.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8618 3.9535 -4.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3206 4.7084 -1.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8778 4.8515 -2.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2802 2.1952 -2.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9066 2.4199 -2.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8096 3.3305 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2131 3.2980 -0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1895 0.8186 -0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8709 0.9066 -0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1028 1.9193 1.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7113 2.0503 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7787 -0.5070 0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2043 -0.5347 1.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8076 0.6878 2.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0694 -0.8667 3.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7139 1.8445 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0898 0.1817 4.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5468 1.7405 5.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9771 1.4715 6.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9893 -0.7930 5.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7551 0.1081 6.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4491 -1.5315 5.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5376 -0.6489 7.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4682 -1.9109 8.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5175 -2.8598 6.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4103 -2.9895 8.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6622 -4.1486 8.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3065 -3.4253 6.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 -4.6245 6.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6722 -5.7302 6.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3723 -5.9796 9.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0984 -6.2734 7.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6847 -7.1979 8.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7664 -4.2165 9.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7499 -5.5679 9.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2271 -4.1092 8.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3488 -3.9151 6.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4326 -2.7251 8.3611 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 1 0 16 17 1 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 33 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 37 40 1 0 25 41 1 0 41 42 1 0 42 43 2 0 42 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 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 17 15 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 24 95 1 0 24 96 1 0 25 97 1 6 26 98 1 0 26 99 1 0 30100 1 0 32101 1 0 32102 1 0 33103 1 1 34104 1 0 35105 1 0 35106 1 0 39107 1 0 40108 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 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 60141 1 0 61142 1 0 61143 1 0 61144 1 0 62145 1 0 62146 1 0 63147 1 0 63148 1 0 63149 1 0 M END