HMDB0298443 RDKit 3D DG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/i-12:0/0:0) 99 98 0 0 0 0 0 0 0 0999 V2000 -8.7291 -5.9253 1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5565 -4.7392 1.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2304 -4.0433 0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0187 -2.7776 0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0619 -1.9334 0.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9951 -1.4041 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8187 -0.1094 -0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6283 0.9378 0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7064 1.7862 1.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6308 3.0942 1.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3865 3.8351 0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7667 4.5225 -0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5313 4.5704 -1.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4404 3.9169 -0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1849 4.0688 -1.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0523 3.4305 -0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 4.4143 -0.0035 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3023 2.4401 -1.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7656 3.0778 -2.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0021 2.1144 -3.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 1.6312 -2.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9774 0.7675 -3.1823 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 2.0934 -1.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6179 1.7981 -0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6867 0.3450 -0.2863 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4423 -0.0886 0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3747 0.6593 1.6189 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7953 0.0643 0.5644 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8605 -0.7283 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7937 -1.1926 -0.9941 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 -0.9248 1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1758 -1.6010 0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8259 -0.8213 -0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2569 0.5295 -0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2140 0.9328 0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6140 0.6176 0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2839 -0.6398 1.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0316 -1.7554 0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9308 -2.9664 0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6379 -3.4308 1.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5481 -4.0509 -0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2080 -5.5809 0.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3934 -6.7574 0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0749 -6.2307 1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4158 -5.2510 2.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0619 -4.1535 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9631 -4.5893 -0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5598 -2.3157 -0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6413 -1.1370 1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5641 -2.4701 1.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3750 -2.1294 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0302 0.2286 -0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4734 0.6368 1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0570 1.5476 -0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1086 1.3080 2.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9379 3.6047 1.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3319 3.3153 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8625 4.7099 0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4988 5.1071 -1.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2708 5.1831 -2.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5029 3.2933 0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0127 4.6747 -1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3361 2.8735 0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0974 5.1744 -0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9849 1.5885 -1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5079 2.0289 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5764 3.5272 -3.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1228 3.9484 -2.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7221 2.5709 -4.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6608 1.2458 -3.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5609 2.1114 -1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4691 2.4148 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8085 -0.1937 -1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4648 -0.0530 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5898 -1.1639 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2621 0.5024 2.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0038 1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5318 -1.6094 1.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8531 -1.9223 1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8173 -2.5615 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5023 -1.4883 -1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9653 -0.6956 -1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2869 1.1742 -0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6477 0.9673 -1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1647 2.1063 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7676 0.7953 1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0317 1.3323 1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1567 1.1849 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4335 -0.4950 1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0763 -0.9807 2.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0048 -2.1692 0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9693 -1.5349 -0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9644 -2.6191 0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5197 -3.4975 2.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0610 -4.4503 2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0051 -2.7187 2.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6055 -4.5191 -0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3927 -3.6032 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3806 -4.7848 -0.4956 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 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 2 0 15 16 1 0 16 17 1 0 16 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 39 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 7 52 1 0 8 53 1 0 8 54 1 0 9 55 1 0 10 56 1 0 11 57 1 0 11 58 1 0 12 59 1 0 13 60 1 0 14 61 1 0 15 62 1 0 16 63 1 0 17 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 19 68 1 0 20 69 1 0 20 70 1 0 24 71 1 0 24 72 1 0 25 73 1 6 26 74 1 0 26 75 1 0 27 76 1 0 31 77 1 0 31 78 1 0 32 79 1 0 32 80 1 0 33 81 1 0 33 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 41 99 1 0 M END