HMDB0285003 RDKit 3D PE(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/DiMe(9,3)) 129129 0 0 0 0 0 0 0 0999 V2000 -13.9247 4.4524 -3.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5905 5.0625 -3.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9191 4.1126 -2.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7955 3.9857 -1.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2809 3.1024 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0858 1.6516 -0.5828 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.1723 1.4417 -1.5656 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9694 0.8892 0.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7974 0.5240 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8437 -0.2252 2.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7656 -0.6281 3.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4767 -0.3338 2.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3892 -0.7486 3.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1495 -0.4914 2.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -0.2703 2.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5149 0.3133 0.9889 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2030 0.7953 1.1755 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4023 -0.8283 -0.0679 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6962 -1.8729 0.5007 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5675 -0.2243 -1.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3418 -1.1945 -2.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 -2.3775 -1.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1964 -2.0096 -1.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2044 -2.0528 -2.2199 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8648 -1.6145 -0.1319 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3839 -1.2796 0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2339 -2.5309 0.3377 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5265 -3.6569 1.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2701 -4.8340 1.0171 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4301 -6.0244 1.8779 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.0777 -5.8298 1.8015 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8481 -5.8736 3.5015 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7656 -7.5785 1.2961 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0063 -7.4839 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3081 -8.7984 -0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4829 -9.4157 -0.1435 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 -2.2750 0.8686 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6267 -2.4733 0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 -2.8556 -1.1101 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 -2.1909 0.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 -2.6784 -0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3974 -2.5679 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8504 -1.1552 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3162 -1.1758 0.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.1875 1.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1378 1.0014 2.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8374 2.3515 2.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8677 3.0490 1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9310 3.1254 0.2897 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6587 3.7987 -0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7019 4.0374 -1.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3128 5.3941 -1.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3624 6.5502 -1.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3312 4.1863 -0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 4.9369 -1.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8278 3.7007 0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4332 3.8481 0.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8233 3.3350 -3.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2567 4.7091 -4.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7256 4.7646 -3.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7240 6.0748 -3.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9577 5.1226 -4.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9397 4.5027 -2.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8742 3.1319 -3.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8529 5.0354 -0.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8586 3.7658 -1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2419 3.4749 0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8962 3.2143 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0943 1.3626 -1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2814 1.7478 -1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9027 0.6065 1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9272 0.8172 0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8158 -0.4673 2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8971 -1.1744 3.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2905 0.1724 1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6767 -1.2609 4.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6055 -1.5604 3.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2309 -0.4393 3.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1448 1.0720 0.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0317 0.9879 2.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3681 -1.1753 -0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 -1.5883 1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 0.0923 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 0.6681 -1.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3204 -1.5600 -2.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8034 -0.7382 -3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3676 -2.9919 -2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0706 -3.1159 -1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2335 -0.9182 1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8829 -0.4423 -0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3386 -2.8402 -0.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5112 -3.3523 2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 -3.8618 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7505 -4.8966 3.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1999 -6.9523 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9248 -6.8425 -0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5048 -8.6265 -1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -9.5151 -0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7869 -10.2344 -0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1737 -9.7881 0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9399 -2.7526 1.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9723 -1.0960 0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7916 -2.1687 -1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7648 -3.7749 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6181 -3.2188 1.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0331 -2.9385 -0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2469 -0.6492 1.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8493 -0.6361 -0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 -1.6871 0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4069 -1.8514 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7575 0.7684 0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9453 0.0835 1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0963 1.2370 1.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1719 0.5016 3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2146 2.9126 3.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8561 2.1491 2.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5097 3.2862 -1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2910 3.8994 -2.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8154 5.4602 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1173 5.4929 -2.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8097 6.5013 -2.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9926 7.4854 -1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7064 6.6514 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5285 6.0311 -1.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0455 4.8355 -2.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5284 4.6043 -1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7249 3.2005 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4005 3.5215 2.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0626 4.8874 0.8640 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 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 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 50 54 2 0 54 55 1 0 54 56 1 0 56 57 1 0 56 48 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 6 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 16 79 1 6 17 80 1 0 18 81 1 6 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 22 88 1 0 26 89 1 0 26 90 1 0 27 91 1 6 28 92 1 0 28 93 1 0 32 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 51117 1 0 51118 1 0 52119 1 0 52120 1 0 53121 1 0 53122 1 0 53123 1 0 55124 1 0 55125 1 0 55126 1 0 57127 1 0 57128 1 0 57129 1 0 M END