HMDB0294402 RDKit 3D DG(20:3(5Z,8Z,14Z)-O(11S,12R)/10:0/0:0) 95 95 0 0 0 0 0 0 0 0999 V2000 8.0527 -1.8394 4.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8965 -0.6621 4.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6068 0.5898 4.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7703 0.6201 2.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8969 -0.3228 1.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1215 -0.1807 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2842 0.1515 -0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8602 0.4634 -0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5029 1.8590 -0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0868 2.1899 -0.4251 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5953 2.3032 -1.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9461 1.5650 -2.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0441 0.4688 -2.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7641 0.5042 -2.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1762 1.6089 -3.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6413 1.5301 -4.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5733 0.5655 -5.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -0.8319 -5.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1848 -1.7104 -5.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2885 -1.5286 -4.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9786 -1.9749 -3.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0819 -2.6294 -3.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8064 -1.7099 -2.5028 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5595 -2.1156 -1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7334 -1.6015 -0.3610 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0088 -2.1756 -0.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1551 -1.7574 -2.2984 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8443 -0.1900 -0.4097 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9064 0.5366 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8601 -0.1549 1.8559 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0211 2.0041 0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8363 2.5176 1.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2841 2.1698 1.9116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6414 0.7321 1.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1821 0.6679 1.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6416 -0.7757 1.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1415 -0.8727 1.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7597 -0.2016 3.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2797 -0.8350 4.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0796 -1.6261 3.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7588 -2.2884 5.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5980 -2.6616 3.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9291 -0.4686 5.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9646 -0.9719 4.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5374 0.9286 4.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2326 1.4091 4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8490 0.4395 2.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5865 1.6883 2.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8668 -0.2919 2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2853 -1.3636 2.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1629 -0.3947 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6039 0.2133 -1.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -0.3266 -0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7401 0.4262 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1070 2.6623 -0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6926 3.4237 -1.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6319 2.2533 -3.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8453 1.0349 -3.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3844 -0.4419 -1.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1507 -0.3693 -2.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7767 2.5764 -3.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2492 1.9384 -2.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1966 2.5105 -5.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 0.8349 -6.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 -1.0012 -6.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -1.0763 -4.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1254 -2.7865 -5.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5886 -1.4812 -6.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 -2.0784 -5.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5362 -0.4297 -4.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5209 -3.2023 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6123 -1.6448 -0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6539 -1.9696 0.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8586 -1.8357 -0.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0045 -3.2756 -0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4657 -0.8175 -2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 2.3970 -0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9756 2.4019 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7817 3.6488 1.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3573 2.2798 2.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7128 2.6318 0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7776 2.6898 2.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3249 0.2215 0.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 0.1957 2.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5496 1.2032 1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5097 1.1619 2.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2802 -1.2335 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2332 -1.3242 2.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5582 -0.3999 0.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4326 -1.9219 1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6069 0.8976 3.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8624 -0.3647 3.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3527 -0.3566 4.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0986 -1.9217 4.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0995 -0.7200 5.1551 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 2 0 29 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 1 0 38 39 1 0 11 9 1 0 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 3 46 1 0 4 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 7 52 1 0 8 53 1 0 8 54 1 0 9 55 1 0 11 56 1 0 12 57 1 0 12 58 1 0 13 59 1 0 14 60 1 0 15 61 1 0 15 62 1 0 16 63 1 0 17 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 19 68 1 0 20 69 1 0 20 70 1 0 24 71 1 0 24 72 1 0 25 73 1 1 26 74 1 0 26 75 1 0 27 76 1 0 31 77 1 0 31 78 1 0 32 79 1 0 32 80 1 0 33 81 1 0 33 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 39 95 1 0 M END