HMDB0282214 RDKit 3D PS(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/20:1(11Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -6.5744 -0.6699 3.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4142 -1.6343 3.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4481 -0.8299 2.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7183 -0.6416 1.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0683 -1.1894 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9923 -2.1480 0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7780 -1.9533 -0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3098 -0.7563 -1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1565 -0.0471 -0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8819 1.0684 -1.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 0.4373 0.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3002 0.4268 1.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4728 0.9063 3.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4719 0.9007 4.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1008 0.4213 3.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6989 -0.6686 4.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3415 -0.5491 5.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1745 0.6411 5.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5754 0.2024 5.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5416 1.3721 4.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0199 2.4020 4.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 3.4641 4.5346 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0065 2.2423 2.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4757 3.2948 1.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5026 2.8292 0.4094 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8840 2.4880 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8706 2.0462 -1.3257 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4275 1.6412 -1.8470 P 0 0 0 0 0 5 0 0 0 0 0 0 6.0026 0.7272 -0.7725 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 3.0254 -1.9203 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4873 0.8805 -3.3163 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 1.3868 -4.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 0.6125 -5.6063 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9314 1.2209 -6.5622 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4457 -0.8046 -5.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1287 -1.5215 -4.6732 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 -1.3771 -6.1096 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9727 3.8225 -0.4039 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7093 3.7964 -0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 2.8200 -0.7495 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2725 4.9164 -1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1246 5.0340 -2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8931 4.1050 -3.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5598 3.8817 -4.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3855 3.2613 -4.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1222 1.8108 -4.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 1.1963 -3.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2994 -0.3023 -3.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -1.0510 -2.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6583 -0.5069 -1.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7032 -1.2192 -1.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9084 -2.6610 -1.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1825 -3.4071 -0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 -3.3135 0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -3.8923 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2139 -3.7715 1.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 -4.3322 0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5555 -4.2140 1.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8573 -4.7917 1.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5501 -1.0678 3.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5863 0.2878 3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0181 -0.5942 4.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6984 -2.1535 2.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8738 -2.3310 3.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1061 -0.2956 3.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5972 0.0582 0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9203 -1.6316 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7851 -0.3046 -0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2526 -3.1374 0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 -2.7689 -0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8929 -1.1209 -2.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0569 -0.0151 -1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2476 -0.6942 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7676 1.4153 -1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2681 0.8141 1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3702 0.0424 1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4587 1.2794 3.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 1.2905 5.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3847 1.2240 3.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1422 -0.0895 2.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3324 -1.5749 4.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -1.3688 6.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3259 0.8879 6.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8339 1.5553 5.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5668 -0.2850 4.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9335 -0.4931 5.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6347 1.8118 5.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5152 0.9704 4.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 3.3607 2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 4.2063 2.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8674 1.9218 0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4874 3.4475 -0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3863 1.7577 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1925 3.5874 -2.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6008 1.3594 -4.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9539 2.4307 -4.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 0.7556 -5.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9668 1.0332 -6.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0024 0.7342 -7.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7109 -1.9833 -5.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5674 5.9139 -1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9881 4.9440 -2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2757 6.1253 -2.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 5.1316 -1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9845 4.5230 -3.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1178 3.1340 -2.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 4.8844 -4.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4651 3.2905 -4.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5895 3.7774 -4.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4227 3.4217 -6.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8119 1.5934 -5.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9034 1.2345 -5.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8092 1.3070 -2.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9428 1.5822 -2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -0.7624 -4.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2245 -0.4432 -4.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 -0.9067 -1.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5305 -2.1008 -2.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6282 0.5368 -1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 -0.6983 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8772 -2.6991 -2.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1023 -3.1015 -2.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4341 -4.4751 -0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1226 -2.9574 0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4552 -3.8500 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9467 -2.2218 0.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4087 -3.3999 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9689 -4.9833 -0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -4.4165 2.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2773 -2.7414 1.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4746 -5.4018 0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9293 -3.7281 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6328 -3.1666 2.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1473 -4.8377 2.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0988 -5.7129 2.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6598 -4.0547 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9057 -4.9826 0.4212 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 1 0 9 11 1 0 11 12 2 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 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 2 0 35 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 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 50 51 2 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 0 24 90 1 0 25 91 1 1 26 92 1 0 26 93 1 0 30 94 1 0 32 95 1 0 32 96 1 0 33 97 1 6 34 98 1 0 34 99 1 0 37100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M END