HMDB0260751 RDKit 3D PE(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/14:1(9Z)) 120119 0 0 0 0 0 0 0 0999 V2000 17.3074 -0.9762 2.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1647 -1.8254 1.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4021 -1.0617 0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1364 -0.7453 0.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3132 -1.1504 1.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8477 0.1273 2.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6028 0.4375 2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4584 -0.3871 2.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7342 0.4400 1.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4757 0.0693 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8189 -1.1812 -0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8352 -2.1136 -1.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5553 -2.0032 -1.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -0.9003 -0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0414 -0.1969 -1.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7507 -0.0170 -1.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9873 -0.4594 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6908 -0.2298 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8678 0.4803 -1.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -0.0246 -2.5093 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0469 1.9582 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 2.5800 0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 2.3866 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 2.7905 1.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6601 1.8003 -0.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 1.7073 0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9056 1.0143 -0.6150 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8555 1.8008 -1.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7529 1.3563 -2.8542 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6117 2.2950 -4.2508 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.3055 3.7426 -3.8902 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3031 1.7738 -5.1938 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0484 2.2775 -5.0942 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6263 1.0222 -5.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9188 1.0426 -5.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7532 1.5022 -7.3078 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1513 1.0211 0.0371 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9017 -0.0208 0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4702 -1.1873 0.2692 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2288 0.2343 1.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1204 -0.2749 2.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2418 -0.1330 3.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6707 1.2188 3.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1776 2.2472 2.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4184 2.0575 2.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5247 0.9522 1.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8969 0.9833 0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7700 0.0329 0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5665 -1.2350 1.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6910 -2.4102 0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4855 -3.6723 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5943 -4.9132 0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1594 -0.8554 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2232 0.0244 1.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2803 -1.4339 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6199 -2.3839 2.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7202 -2.6327 1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9695 -0.7407 -0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6043 -0.1778 -0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9098 -1.7068 2.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4972 -1.8171 1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6536 0.8421 2.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3514 1.4166 3.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7610 -1.3592 1.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7456 -0.5443 3.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4195 1.4192 1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9732 0.8404 -0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5553 -0.8972 -1.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5055 -1.8004 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2632 -3.0401 -1.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9565 -2.8159 -1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2863 -0.2883 0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0442 -1.4770 0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 0.1884 -2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2322 0.5070 -2.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4118 -0.9861 0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 -0.6289 0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8101 0.2532 -0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7182 0.7078 -3.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9679 2.3419 -1.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2254 2.3486 -1.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9023 3.6973 -0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4589 2.2364 0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 1.1655 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3256 2.7490 0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6083 -0.0525 -0.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8196 1.7969 -2.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 2.8611 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0476 0.8344 -4.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8858 0.7108 -4.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9688 0.2545 -5.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7286 1.5870 -5.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2626 -0.0228 -6.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5394 2.5020 -7.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6164 1.2746 -7.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4585 1.2685 0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9400 -0.4569 0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2295 0.2859 3.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7084 -1.3384 2.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8035 -0.5973 4.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0545 -0.8471 3.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8085 1.6986 4.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4399 1.1058 4.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3683 2.7324 2.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3825 3.1700 3.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2596 1.9942 3.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6274 3.0444 1.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7973 1.2094 0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3009 -0.0306 1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1562 1.9005 0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7570 0.1524 0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6237 -1.3908 1.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4225 -1.3246 2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8479 -2.3668 -0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6559 -2.4344 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3150 -3.6753 1.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4898 -3.6531 1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4143 -4.7665 -0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9630 -5.7451 1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6607 -5.1957 -0.1429 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 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 27 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 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 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 19 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 26 84 1 0 26 85 1 0 27 86 1 6 28 87 1 0 28 88 1 0 32 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 43102 1 0 43103 1 0 44104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 48111 1 0 49112 1 0 49113 1 0 50114 1 0 50115 1 0 51116 1 0 51117 1 0 52118 1 0 52119 1 0 52120 1 0 M END