HMDB0009110 RDKit 3D PE(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 131130 0 0 0 0 0 0 0 0999 V2000 16.2295 -0.4985 -1.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3888 -0.3772 -0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5956 -1.5007 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7910 -2.3979 0.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3718 -2.5232 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7181 -1.6379 -0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7519 -0.8135 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2315 -0.7099 1.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7875 -1.0447 1.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8630 -0.2116 1.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1538 1.1267 2.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 2.2903 1.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9465 2.3758 0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4401 1.3435 -0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 1.4282 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1572 0.4281 -0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5546 -0.9248 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0135 -1.3678 1.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5259 -1.3941 1.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8995 -2.3166 0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -2.3975 0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7602 -1.1000 0.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 -0.3225 1.4278 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2897 -0.6420 -0.7724 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3441 0.5815 -0.9229 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7819 0.4350 -1.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6093 -0.2936 -0.5828 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9082 0.0153 0.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4031 1.0450 1.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8307 -0.8407 1.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5439 -1.8731 0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4070 -1.2762 -0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4751 -0.3777 0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3172 0.2227 -0.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0373 -0.7934 -1.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9751 -1.6423 -0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7031 -2.6388 -1.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9922 -2.7427 -1.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0558 -1.9093 -1.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7711 -0.7537 -0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1680 -0.6055 0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9473 -1.5665 1.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2196 -1.0201 2.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2161 -0.5484 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9093 0.5960 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1646 0.8919 -0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3497 1.5564 -1.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 1.9458 -1.4165 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1444 3.0869 -2.5715 P 0 0 0 0 0 5 0 0 0 0 0 0 3.6107 3.3406 -2.4955 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7788 2.4969 -4.1168 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2048 4.4751 -2.3014 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1869 4.8066 -0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3295 6.0343 -0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3088 6.3732 0.7173 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1400 -1.4974 -2.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8002 0.2374 -2.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2911 -0.2058 -1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4089 -0.0573 -0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8748 0.5214 0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6653 -1.6115 0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2392 -3.1758 1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2738 -3.5832 0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8436 -2.7181 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9845 -1.6328 -1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2881 -0.1588 -0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4043 0.3547 1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7892 -1.2993 2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4422 -2.0478 1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8017 -0.5915 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6711 1.1817 3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2222 1.3111 2.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8965 3.2875 2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6868 3.4528 0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8429 0.3518 -0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7952 1.6739 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5212 2.4157 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 0.5961 -0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0630 -1.6079 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6178 -1.1712 0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3773 -2.4241 1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4617 -0.7856 2.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1888 -1.6215 2.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1529 -0.3613 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3026 -3.3444 0.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1769 -2.0515 -0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1065 -2.8071 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 -3.1209 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3864 1.0612 0.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7556 -0.1025 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1693 1.4593 -1.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 -0.1875 2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1882 -1.3404 2.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1487 -2.4749 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7843 -2.5730 0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8439 -2.1134 -0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7899 -0.6989 -1.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1644 -0.9089 0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9722 0.4710 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9992 0.9914 -0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6449 0.7899 -1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6778 -0.2222 -2.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2570 -1.3964 -2.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2061 -2.2944 -0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4792 -1.1272 -0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1061 -3.4286 -2.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3081 -3.6023 -2.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7919 -2.6112 -0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7322 -1.5404 -2.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1947 0.1275 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8883 0.3482 1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2131 -2.5132 0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3622 -1.8919 2.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7505 -1.8646 2.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0254 -0.2438 2.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2357 -0.3815 1.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4920 -1.4102 0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1348 0.4313 -0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7445 1.5260 0.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1797 0.0876 -1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0081 0.8645 -0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9616 1.8916 -1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3525 1.0996 -2.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 2.4766 -1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1274 3.0645 -4.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 3.9439 -0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2408 5.0737 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 6.9041 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7031 5.7874 -0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0271 7.3753 0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4101 5.8100 1.2311 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 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 1 26 90 1 0 26 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 51125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 M END