HMDB0261524 RDKit 3D PE(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,10E,14Z)-OH(12S)) 126125 0 0 0 0 0 0 0 0999 V2000 -12.4759 -3.4242 1.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2723 -1.8918 1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5084 -1.2518 1.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6425 0.2033 1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6885 1.0695 0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6317 0.7372 -1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5466 0.4342 -1.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1636 0.3367 -1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6950 0.5887 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8539 1.5796 0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3210 2.5098 -0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9151 2.6045 -0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9359 1.9164 -0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9958 0.8248 0.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2276 1.0844 1.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4002 -0.1391 2.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 -1.3833 2.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4306 -1.3540 1.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7367 -0.3921 2.1054 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8315 -2.3566 0.9826 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 -2.3894 0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9405 -1.2224 -0.0863 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8013 -0.7125 -1.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2443 0.5054 -1.6097 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 1.2359 -2.8459 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.3655 0.3791 -3.0544 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2936 1.2757 -4.3042 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6595 2.7773 -2.3781 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 3.5826 -3.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3978 4.9397 -2.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7236 5.8286 -3.9945 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3921 -1.4653 -0.4078 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -0.7805 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3163 0.1320 0.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8243 -1.2050 -0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6071 -1.9216 0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8892 -1.0251 1.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6443 -1.7476 2.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8273 -1.4727 3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7513 -0.4094 3.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4197 0.6552 2.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0595 0.8057 1.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1307 -0.0341 0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7214 0.1936 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8084 -0.6814 -1.1174 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4250 -1.3080 -2.3014 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0406 0.1735 -1.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4579 0.8395 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6172 0.6723 0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6448 -0.2436 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9891 -1.3335 0.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9778 -2.3398 0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3528 -1.9006 0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5269 -0.9582 -1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9322 -3.9355 2.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5690 -3.6488 1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0900 -3.8048 0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1114 -1.6753 2.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3900 -1.7107 0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6442 -1.6346 -0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3783 -1.7604 1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6937 0.4891 0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6598 0.5244 2.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2073 2.1181 0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7884 1.2232 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6192 0.7511 -1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7605 0.2044 -2.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9064 -0.8034 -1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4654 0.7488 -2.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9422 -0.0219 0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5498 1.7294 1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6102 3.5882 -0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9648 2.4902 -1.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6284 3.4033 -1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8888 2.1655 -0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9095 0.3082 0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3401 -0.0086 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7143 1.9437 2.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1979 1.3133 1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7948 0.0307 3.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4660 -0.2591 2.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4888 -1.7256 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 -2.2123 2.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -3.2872 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8488 -2.6326 1.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 -0.3682 0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8106 -1.3560 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8054 -0.5272 -0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 1.9503 -4.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 3.7772 -4.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7892 3.1842 -4.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2641 4.8210 -2.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5719 5.3762 -2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0799 6.7438 -3.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9234 6.0067 -4.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 -0.3415 -0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7637 -1.8766 -1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 -2.1907 0.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0228 -2.8107 0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 -0.8709 2.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2025 -0.0374 1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1605 -2.6580 3.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 -2.2075 4.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 0.1297 4.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8052 -0.8056 2.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6365 1.3931 2.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7387 1.6483 0.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4920 -0.8764 1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3544 1.0460 -1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0444 -1.4214 -0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8956 -2.1707 -2.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7687 -0.3668 -1.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6570 0.9928 -2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7363 1.5369 0.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8711 1.2179 1.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5771 0.4124 -0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4767 -0.5757 -1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0346 -1.8699 1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3095 -0.9225 1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0916 -3.1681 1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5276 -2.8737 -0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8435 -1.4505 0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9796 -2.8079 -0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7131 -0.9153 -1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4420 -1.2717 -1.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8263 0.0529 -0.7200 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 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 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 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 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 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 21 85 1 0 22 86 1 1 23 87 1 0 23 88 1 0 27 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 42107 1 0 43108 1 0 44109 1 0 45110 1 1 46111 1 0 47112 1 0 47113 1 0 48114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 54126 1 0 M END