HMDB0261398 RDKit 3D PE(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)-O(14R,15S)) 128128 0 0 0 0 0 0 0 0999 V2000 -14.8078 1.8698 -1.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4607 2.0990 -0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6388 2.4483 0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6333 1.5261 1.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5237 1.1853 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5280 0.2732 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2016 -0.9102 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7276 -1.5929 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9014 -1.9997 -1.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6417 -1.8361 -1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7264 -1.1371 -0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6426 -2.0046 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7122 -2.6321 -1.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9163 -1.6473 -2.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1183 -0.7171 -1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3104 0.2100 -2.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2955 -0.5469 -2.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4176 -1.3338 -2.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7294 -2.5448 -1.7838 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2662 -0.8825 -1.4206 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4975 -1.7372 -0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7201 -1.0755 -0.0081 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4076 -0.0050 0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4603 -0.4130 1.9767 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8084 0.7863 3.0944 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2783 0.7463 3.4607 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 0.4373 4.5115 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3723 2.3146 2.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6468 2.8710 3.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 4.2679 2.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4165 4.2219 1.4509 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6181 -0.6240 -1.0102 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8759 -1.1849 -1.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -2.1133 -0.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -0.7032 -2.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3205 0.6718 -2.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0751 0.9832 -0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2833 0.9012 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4887 0.1031 1.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5013 -0.9085 1.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 -1.2049 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8102 -1.0698 0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4098 -0.5681 2.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2132 0.6479 1.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4873 0.7021 2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2337 -0.4028 2.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3736 -0.8036 1.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1646 -1.8795 2.1721 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3039 -2.0588 1.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9330 -2.4318 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5483 -1.6804 -1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8326 -0.2234 -1.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4686 0.4547 -2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7824 1.9338 -2.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6132 0.7811 -1.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8782 2.4175 -1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5107 2.2621 -2.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1856 2.9694 -0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1847 1.2527 -0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0596 3.4139 0.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3005 2.7648 1.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1610 2.0593 2.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0896 0.6133 1.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8463 0.8668 -0.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9529 2.1561 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0520 0.6995 2.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4590 -1.4546 1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2705 -2.5674 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6561 -1.0226 -0.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4560 -2.5627 -2.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2146 -2.2605 -2.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1238 -0.4305 -1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1101 -0.4126 -0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0168 -1.3630 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0463 -2.7868 0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0688 -3.3377 -0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3161 -3.2536 -1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2431 -2.1689 -2.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6197 -1.0538 -2.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -1.2538 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8529 -0.0785 -0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0153 0.6586 -2.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7938 1.0032 -1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7596 -1.1123 -3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6808 0.2393 -3.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2545 -2.6552 -1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2119 -2.0442 0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2717 -1.8853 0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 0.4574 1.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.8341 0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4445 -0.4779 4.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5578 2.2638 3.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4926 2.8446 4.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6736 4.8005 3.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 4.8312 2.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9382 3.3527 1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6803 4.3304 0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6924 -1.4000 -2.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 -0.8666 -3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0307 0.9160 -2.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4899 1.4269 -2.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2621 2.1384 -0.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0970 0.6214 -0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4077 1.6260 0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 0.2533 2.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8868 -1.9025 1.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8984 -0.8849 2.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1558 -1.6121 -0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4726 -1.3219 -0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9765 -1.4210 2.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 -0.2207 2.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7145 1.5163 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 1.6245 1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7928 0.0189 3.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7038 -1.2507 3.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0040 0.0485 1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4702 -2.7712 1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6985 -3.5192 -0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0575 -2.4327 -0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5124 -1.8982 -1.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1954 -2.0641 -2.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1475 0.2961 -0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8567 0.0008 -1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1135 -0.0308 -3.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3904 0.2605 -2.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7455 2.2285 -1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0361 2.5360 -3.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8174 2.0799 -2.9302 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 1 0 9 10 2 0 10 11 1 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 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 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 49 47 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 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 0 21 87 1 0 22 88 1 1 23 89 1 0 23 90 1 0 27 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 54128 1 0 M END