HMDB0260765 RDKit 3D PE(18:3(9,11,15)-OH(13)/14:1(9Z)) 114113 0 0 0 0 0 0 0 0999 V2000 13.0210 4.3802 3.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0383 4.2984 1.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6441 3.9559 1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4555 2.8439 0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1204 2.4359 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0503 3.4120 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3770 4.6430 -0.1755 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7223 3.0281 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5455 2.0299 -0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2241 1.6467 -1.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2352 0.6177 -2.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9906 0.1300 -2.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8469 -1.3263 -2.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 -1.8747 -3.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -3.2990 -2.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2052 -3.4304 -1.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9486 -2.6983 -0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7335 -3.2622 -1.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4842 -2.5511 -0.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6349 -3.0185 -1.3168 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5149 -1.4328 -0.1695 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6031 -0.7386 0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2557 -1.3799 1.5024 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3464 -2.8484 1.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4141 -3.4364 0.9211 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3787 -5.1060 1.1106 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.1387 -5.7092 -0.0506 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1658 -5.5635 2.5223 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7637 -5.6141 1.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6814 -6.9866 1.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2573 -7.4675 1.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2841 -8.9069 1.6291 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3981 -0.7082 1.9456 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4563 0.0418 3.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4373 0.1670 3.7899 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7502 0.7160 3.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7828 2.0431 2.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7016 1.9089 1.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9028 1.0772 0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7200 0.9897 -0.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7139 0.2195 -1.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1324 0.6345 -1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8713 0.7017 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4449 1.8165 0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4523 3.1096 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8063 4.1271 0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7822 5.5000 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0062 5.5456 -1.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0423 4.1595 3.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2959 3.6980 3.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7364 5.4284 3.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2818 5.2730 1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7386 3.5355 1.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8278 4.6236 1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3454 2.2315 0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2101 2.4149 -1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8563 1.4239 0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9784 3.6265 1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6991 4.3728 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8565 3.6009 0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4358 1.4801 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3459 2.1918 -1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1470 0.0834 -2.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0827 0.6477 -2.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0073 0.1315 -4.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6259 -1.2386 -1.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7504 -1.9099 -2.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -1.2105 -2.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6966 -1.7854 -4.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5777 -3.7721 -3.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -3.8797 -2.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1305 -4.5215 -0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0557 -3.0100 -0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -1.6151 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -2.8940 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 -3.2126 -2.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6812 -4.3450 -1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3967 -0.6007 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 0.3209 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4919 -1.1268 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4974 -3.1152 2.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4161 -3.3414 1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1353 -5.4244 2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3313 -7.5615 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0851 -7.1430 2.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3421 -6.9925 2.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -7.2459 0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -9.0497 2.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6567 -9.3565 0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5855 0.0483 3.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7275 0.8820 4.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8734 2.6176 3.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6448 2.6722 3.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7323 2.9198 0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7507 1.4547 0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8181 1.6634 1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9243 0.0879 1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6711 0.5777 -0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6094 2.0514 -1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6149 -0.8635 -1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3090 0.1032 -2.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3111 1.5187 -2.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6642 -0.1923 -2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9648 -0.2037 0.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9844 1.7627 1.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5203 3.4372 -0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9049 3.2168 -1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7565 3.8138 0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3294 4.1649 1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8234 5.8025 -0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3495 6.1980 0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6630 5.2582 -2.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6984 6.6127 -1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1532 4.8421 -1.4641 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 1 0 6 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 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 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 23 33 1 0 33 34 1 0 34 35 2 0 34 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 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 22 78 1 0 22 79 1 0 23 80 1 1 24 81 1 0 24 82 1 0 28 83 1 0 30 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 48114 1 0 M END