HMDB0262284 RDKit 3D PE(20:3(8Z,11Z,14Z)/18:2(10E,12Z)+=O(9)) 128127 0 0 0 0 0 0 0 0999 V2000 -1.1172 5.4698 -5.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0912 5.0621 -6.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 5.1159 -5.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 4.7378 -6.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7143 4.8480 -5.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4674 3.8988 -4.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2457 4.1707 -3.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2242 5.5836 -2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9425 5.8460 -1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9039 7.1870 -0.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2367 8.1558 -1.4447 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4585 7.4357 0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8598 6.1537 1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2023 6.0897 2.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 6.9855 2.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 6.6800 1.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2654 5.2089 1.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 5.1077 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2051 3.7379 -0.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4519 3.6000 -1.7071 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1136 2.5512 0.2595 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1943 1.3158 -0.4307 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0481 0.2298 -0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0484 -0.6064 0.9427 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0718 -0.6144 2.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0624 0.4797 2.8683 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1176 -1.9591 2.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 -1.8773 4.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1835 -3.2904 4.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1846 -4.2829 4.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4426 -5.6500 5.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4748 -6.7068 4.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 -6.2712 4.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -6.1744 3.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7278 -6.4758 2.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7753 -7.5197 2.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 -7.2428 1.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -5.9650 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8825 -6.2242 -0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0294 -5.8466 -1.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8132 -5.0588 -1.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 -5.8587 -1.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -5.1306 -1.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8187 -4.9705 -0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -4.2519 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6717 0.8971 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 0.9222 1.0127 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 0.8618 1.4310 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0490 1.4989 0.2492 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4391 2.0491 2.6992 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0032 -0.4967 1.8393 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4183 -1.6877 2.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 -2.7291 2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 -2.8823 1.5896 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9666 5.0934 -4.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0407 5.0037 -5.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 6.5794 -5.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1379 5.7292 -7.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0854 4.0295 -6.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1901 4.4665 -4.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4745 6.1677 -5.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7014 5.4234 -7.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 3.7015 -6.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9623 5.8694 -5.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6051 4.4347 -5.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4687 2.8285 -4.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0657 3.4046 -2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 6.3698 -3.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 4.9708 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 8.2623 0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3734 7.7067 1.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 5.7183 0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7451 5.4302 1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 6.4958 3.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9491 5.0759 2.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5282 6.7506 3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2872 8.0199 2.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8867 7.2139 1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5015 7.0866 0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9688 4.9081 2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4159 4.5657 1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4432 5.7425 -0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9903 5.6602 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2984 1.5134 -1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1718 0.5207 -0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9425 -0.5084 -1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0992 -2.4035 2.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2678 -2.5555 2.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1233 -1.3911 4.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9039 -1.3156 4.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 -3.2149 6.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1993 -3.5994 4.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2756 -4.3872 3.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1657 -3.9313 4.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 -5.5854 6.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4571 -5.9574 4.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7418 -7.6463 5.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6857 -6.9560 3.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1568 -6.0163 5.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8316 -5.8319 4.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -5.6344 1.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2335 -7.0361 2.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -8.4716 2.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4644 -7.9965 1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2051 -5.1515 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -5.6031 0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7701 -6.8183 -1.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2143 -6.1226 -2.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8464 -4.1649 -2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7334 -4.7214 -0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3763 -6.8925 -1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 -5.8574 -3.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7032 -4.0996 -1.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5862 -5.6251 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0187 -4.4068 0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8591 -5.9813 0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9152 -4.7282 -0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9816 -3.1998 0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3592 -4.3578 1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1425 1.6578 -0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6349 -0.0756 -0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6476 2.5951 2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0836 -2.0820 1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 -1.6920 2.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8525 -2.4765 3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 -3.6937 2.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3584 -2.6970 0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2139 -3.5617 1.8815 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 2 0 10 12 1 0 12 13 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 22 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 22 84 1 6 23 85 1 0 23 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 50122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 M END