HMDB0300511 RDKit 3D DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/i-22:0/0:0) 129128 0 0 0 0 0 0 0 0999 V2000 16.4988 -0.5357 1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3261 -1.2203 0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7782 -2.0294 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3888 -1.8000 -1.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4736 -0.7191 -2.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8584 -0.1793 -3.4124 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0254 -1.1687 -2.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2427 0.0806 -2.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2351 0.3597 -1.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4204 1.5388 -2.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4360 1.8666 -1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0146 1.0647 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5631 0.7076 -0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6153 1.0647 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9086 1.8147 1.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4631 3.1457 2.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7549 3.9923 1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1373 3.7797 0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6411 4.0821 0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0888 3.1133 1.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0615 1.7347 0.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9729 0.7125 1.3572 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1227 1.5750 -0.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0747 0.4470 -1.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 -0.2931 -1.3592 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6154 0.7082 -1.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6267 0.1153 -1.6152 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5929 -0.8064 -0.0685 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2489 -2.1404 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0137 -2.8902 -0.7986 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -2.6648 1.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1887 -3.7541 1.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2565 -3.3500 1.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7181 -2.7580 0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -2.3443 0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3191 -1.2811 1.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5677 -0.5896 1.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7597 -1.2312 2.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4881 -2.2425 1.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7084 -2.7707 2.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6898 -1.7429 2.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3470 -0.9568 1.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1642 -1.8012 0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8702 -1.0039 -0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8016 0.0176 0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5086 0.7661 -0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4175 1.8052 -0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1564 2.6178 -1.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1065 1.9775 -2.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5861 0.9720 -3.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7782 3.1070 -3.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3850 -0.6568 0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6774 -0.9186 2.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2751 0.5677 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9143 -1.9382 1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5165 -0.5390 0.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4729 -2.8726 -0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7702 -2.4521 -2.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4738 0.1040 -1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8467 -0.0004 -3.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6375 -1.6725 -1.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9952 -1.8401 -3.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5040 0.6800 -3.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0718 -0.3032 -1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6442 2.2005 -2.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8699 2.7698 -1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5363 0.0835 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2842 1.5243 0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2446 0.1298 -1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5991 0.7010 0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0090 1.7055 2.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4900 1.1435 2.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 3.5545 3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5626 5.0158 1.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2838 2.8293 -0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5164 4.6310 -0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5123 5.1343 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 3.9143 -0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0867 3.4144 1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7978 3.1040 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1916 0.7047 -2.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8669 -0.2519 -1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6305 -1.0775 -2.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8058 1.2025 -2.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6303 1.4849 -0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8956 -0.0779 -2.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 -3.0806 1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0656 -1.8339 2.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4354 -4.6219 1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -4.1556 2.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 -2.8044 2.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8309 -4.3390 1.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1994 -1.7980 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6415 -3.4331 -0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5955 -2.0729 -0.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7552 -3.2631 0.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8567 -1.5701 2.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 -0.4651 1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8892 -0.0250 0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2834 0.2712 2.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5087 -0.4238 2.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4701 -1.6691 3.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8734 -3.1486 1.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7618 -1.8368 0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1538 -3.5894 1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3099 -3.2446 3.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4886 -2.2791 3.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2425 -1.0291 3.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5365 -0.4894 1.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9018 -0.1241 2.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5294 -2.5492 0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8914 -2.3737 1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1432 -0.4931 -1.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4246 -1.7301 -1.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6117 -0.5191 0.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3451 0.7048 0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1532 -0.0036 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8000 1.1298 -1.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7822 2.4821 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1223 1.2539 0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4406 3.3090 -1.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7690 3.3774 -0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8916 1.4635 -1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8909 -0.0917 -2.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1437 1.1407 -4.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5310 1.0730 -3.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8402 2.7850 -3.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6868 4.0559 -2.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3080 3.1199 -4.0693 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 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 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 25 28 1 0 28 29 1 0 29 30 2 0 29 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 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 49 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 15 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 24 81 1 0 24 82 1 0 25 83 1 6 26 84 1 0 26 85 1 0 27 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 51129 1 0 M END