HMDB0009215 RDKit 3D PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z)) 122121 0 0 0 0 0 0 0 0999 V2000 13.5958 -1.3068 -0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2965 -0.1909 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 -0.7472 1.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0884 -0.2214 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6353 0.9940 0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2826 2.0609 1.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0810 2.5035 1.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8794 2.1164 0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8092 1.7497 1.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1862 0.6310 1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2939 -0.6092 1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2721 -0.7984 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9743 -1.0299 -1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6521 -1.1455 -1.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4358 -0.0978 -2.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -0.2916 -3.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9866 -0.1286 -2.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9761 1.2375 -1.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7224 2.1804 -2.2712 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9859 1.4868 -0.9761 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8899 2.7534 -0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 2.8017 0.5968 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1199 1.8349 1.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1594 0.5577 1.1619 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5194 -0.6239 2.3136 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8834 -1.1710 2.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4861 0.0389 3.8745 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3788 -1.8572 2.1355 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9558 -2.8778 1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0124 -4.0349 1.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3902 -4.5645 2.4606 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4435 2.5012 0.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 1.3234 -0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1081 0.9929 -0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0751 1.9359 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2068 2.2179 -0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2868 1.2887 -1.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2502 -0.1263 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7944 -1.1262 -0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3815 -1.2505 0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7365 -1.5813 1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9651 -0.8395 0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4147 -0.5337 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5567 -1.0323 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4362 -1.9231 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8392 -1.4874 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1099 -0.2329 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5963 1.0005 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2211 1.1406 -1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7104 2.3880 -1.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8081 -1.3129 -1.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6144 -2.2461 -0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6252 -1.1478 -1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3061 -0.1166 0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0934 0.7010 -0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5707 -1.6775 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3936 -0.7480 1.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8485 0.7468 -0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4634 1.4059 -0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0641 2.4356 2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8800 3.3116 2.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0073 1.4625 -0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5084 3.1083 0.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5075 2.5890 2.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3850 0.6311 2.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3889 -1.4945 1.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2666 -0.8599 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3710 -0.8074 0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8300 -1.1559 -1.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8516 -0.9897 -1.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5479 -2.1369 -2.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5409 0.8792 -2.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2408 -0.2384 -3.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9117 0.3915 -4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0232 -1.3634 -3.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9806 -0.9073 -1.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0023 -0.3131 -3.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8586 3.0364 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6672 3.5116 -1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7685 3.8153 1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3536 1.8547 2.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1402 2.0692 2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5837 0.0681 4.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8863 -3.2385 1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2283 -2.5211 0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -3.7375 0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5508 -4.8283 0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2043 -5.1937 2.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 -3.7749 3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1015 0.6275 -1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3053 0.0848 -1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4563 1.5410 0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5288 2.8678 0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6402 3.2229 -0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7974 2.5824 -1.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0551 1.4728 -0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9451 1.7667 -2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1060 -0.5003 -2.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4132 -0.1870 -2.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6994 -1.3310 -0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1165 -2.1523 -1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 -2.0641 1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0255 -0.3485 1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7841 -1.8744 2.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8890 -2.6926 0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7657 0.2115 1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8033 -1.1882 1.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9189 0.1547 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8419 -0.7523 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5124 -2.8996 -0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0485 -2.3171 0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3401 -1.4772 -0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3708 -2.3551 0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7172 -0.2611 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2175 -0.1036 0.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5294 1.1404 0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9756 1.8889 0.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3149 1.2493 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9929 0.2698 -1.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4604 2.6363 -2.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6017 3.1990 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7240 2.2310 -2.4729 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 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 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 22 32 1 0 32 33 1 0 33 34 2 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 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 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 21 78 1 0 21 79 1 0 22 80 1 1 23 81 1 0 23 82 1 0 27 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 33 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 50122 1 0 M END