HMDB0284978 RDKit 3D PE(DiMe(9,3)/20:4(5Z,8Z,11Z,13E)-OH(15S)) 127127 0 0 0 0 0 0 0 0999 V2000 -14.0504 3.8891 -2.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0952 3.8471 -0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1416 2.4484 -0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9660 1.6047 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6451 2.1615 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6123 2.2987 1.5275 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.3641 2.8153 1.8677 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9416 1.0401 2.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4666 -0.1417 1.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8030 -1.3407 2.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4398 -2.5409 2.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6146 -2.9511 1.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1154 -2.0369 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8213 -1.8205 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7227 -2.4313 0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8655 -3.2018 -0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5949 -2.9560 -0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -1.8862 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2812 -0.8733 -0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5827 0.1787 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5182 -0.3968 0.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9056 -0.8423 2.0701 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -0.4706 0.6227 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1888 -1.0327 1.4791 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7433 -0.0619 2.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5328 0.6549 1.2095 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6092 0.3305 0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0684 -0.8225 0.5252 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3067 1.2827 -0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5051 1.9036 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5277 0.8999 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0988 0.0906 -0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7994 0.8879 -1.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9856 1.6824 -0.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5730 2.4154 -2.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7569 3.2817 -1.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9025 2.5260 -1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9277 2.0813 -1.9107 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7973 1.4393 -1.1533 C 0 0 0 0 0 0 0 0 0 0 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1 0 13 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 1 25 88 1 0 25 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 42112 1 0 44113 1 0 44114 1 0 44115 1 0 46116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 51121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 M END